data_2hgk_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 2hgk _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 ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.632 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.632 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.433 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.4 m-70 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HB2' HD22 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.558 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' NH2' ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' H ' ' CG ' ' A' ' 27' ' ' ASP . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.429 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.482 ' HE2' ' HG2' ' A' ' 49' ' ' GLU . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG2' ' HE2' ' A' ' 45' ' ' MET . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.732 HD12 HD22 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.472 ' HB2' HD12 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.453 ' HA ' HG22 ' A' ' 3' ' ' THR . 7.6 p-10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HB3' HG22 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.573 HD22 ' HB2' ' A' ' 53' ' ' TRP . 7.3 m120 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HE21 ' A' ' 30' ' ' GLN . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 28' ' ' GLU . 72.1 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' HB2' HD22 ' A' ' 26' ' ' ASN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.652 HG22 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.526 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.9 OUTLIER -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.405 HD11 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG21 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HA ' HD21 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.517 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 15.1 mm100 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.405 ' HE3' HE22 ' A' ' 52' ' ' GLN . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.414 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HA ' HG22 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.505 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 14.5 m120 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.583 ' HE1' ' HB3' ' A' ' 49' ' ' GLU . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.583 ' HB3' ' HE1' ' A' ' 45' ' ' MET . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' HD12 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.405 HE22 ' HE3' ' A' ' 24' ' ' TRP . 84.8 mm-40 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.478 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.444 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.835 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 19.4 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.835 ' HB3' ' H ' ' A' ' 2' ' ' THR . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.717 HD22 HD13 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.6 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 72.1 m-70 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' HA ' HE22 ' A' ' 52' ' ' GLN . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.66 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.66 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' HD12 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 HD22 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 HE22 ' HA ' ' A' ' 24' ' ' TRP . 58.4 tp60 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.5 m-70 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 70' ' ' PRO . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.521 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.445 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.533 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.473 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD13 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HA ' HG23 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.811 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.811 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.649 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.634 HD13 HD23 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.649 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.417 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD11 HG11 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.553 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.539 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.525 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.485 ' HH ' ' HG2' ' A' ' 42' ' ' MET . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.437 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 HD11 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.488 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.666 HG23 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.664 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.432 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' NE2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.587 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.601 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' HB2' HD11 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.407 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 47' ' ' PRO . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.468 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HB2' HD11 ' A' ' 69' ' ' LEU . 7.8 t70 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HG3' HD12 ' A' ' 103' ' ' LEU . 15.6 mm100 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.525 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.641 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.547 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.777 HE21 HD12 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.547 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.567 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.509 ' HB3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.628 ' HB2' HD11 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' HH ' ' HB2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.499 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.468 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.77 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.676 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.576 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 56.5 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.63 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' H ' ' A' ' 2' ' ' THR . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.602 HG21 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.465 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 37' ' ' THR . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.646 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 33' ' ' GLN . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HB2' ' HH ' ' A' ' 79' ' ' TYR . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD11 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.586 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 19.9 m-70 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' HD12 ' A' ' 62' ' ' LEU . 15.4 mm100 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.5 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' HH ' ' HB2' ' A' ' 51' ' ' LEU . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.5 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.44 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.602 ' HB3' HG21 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.591 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.63 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG21 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 81.1 m-70 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.821 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.618 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.821 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.618 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.603 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.717 HG22 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.413 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HB3' HD11 ' A' ' 69' ' ' LEU . 35.0 t70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.582 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 95.9 m-70 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' NE2' ' HB2' ' A' ' 42' ' ' MET . 13.5 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.527 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.608 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.698 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.514 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.456 ' HE1' HD12 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.525 ' HG3' HD11 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.507 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.526 ' HB2' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.608 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.747 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 3' ' ' THR . 7.7 t70 . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 3' ' ' THR . 1.3 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.553 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HB3' HG22 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.58 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.496 ' HB3' ' HH ' ' A' ' 78' ' ' TYR . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.58 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.646 HD12 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.599 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.496 ' HH ' ' HB3' ' A' ' 47' ' ' PRO . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.44 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' OE1' HD12 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB3' HG21 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.483 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.545 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.6 m-70 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 69' ' ' LEU . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.548 HD12 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.49 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.607 ' HB3' HG21 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.437 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.517 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.528 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 38' ' ' GLN . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.634 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' TRP . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.657 HG21 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.581 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.487 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.452 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.491 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.646 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HA ' HD11 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.507 ' HB2' HG23 ' A' ' 3' ' ' THR . 37.4 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.759 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 HE21 ' A' ' 52' ' ' GLN . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' H ' ' CG ' ' A' ' 27' ' ' ASP . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.607 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 35' ' ' ASN . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.577 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.714 HE21 HD13 ' A' ' 18' ' ' LEU . 49.7 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.607 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.577 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.759 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.489 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.025 0.44 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 91.0 m-70 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.43 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.703 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.703 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.442 ' CH2' HD12 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.458 ' HE1' ' CZ ' ' A' ' 104' ' ' PHE . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HE2' ' A' ' 59' ' ' MET . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.481 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.481 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 26.7 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.475 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.458 ' CZ ' ' HE1' ' A' ' 59' ' ' MET . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HA ' HD21 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.559 HG11 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 HD12 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.694 HD12 HE21 ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.96 ' HB3' HE22 ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.612 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.689 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.1 mm100 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 59.3 t60 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.689 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.83 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.83 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.96 HE22 ' HB3' ' A' ' 23' ' ' HIS . 49.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.612 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.548 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.596 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 34.8 m-70 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.1 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.494 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.477 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' OE1' HD11 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD13 HD23 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.556 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.617 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.444 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.617 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.589 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.556 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.574 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 8.6 m-70 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.8 t-20 -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 11.0 mm100 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.401 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.524 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HZ2' ' HB2' ' A' ' 99' ' ' LYS . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.725 0.298 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG21 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 25.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' HE1' ' A' ' 42' ' ' MET . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.725 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.555 ' CH2' HD11 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD11 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.408 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 11.9 m-70 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 67' ' ' GLN . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.44 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.511 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB3' HG21 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.462 ' HB2' HG23 ' A' ' 3' ' ' THR . 5.8 t70 . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.225 -0.197 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.785 ' HB3' HG22 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.782 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.692 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.574 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.431 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.675 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.684 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.782 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.575 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 104' ' ' PHE . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD3' HD23 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.536 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.503 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.468 ' HB3' HD11 ' A' ' 69' ' ' LEU . 23.2 t70 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -64.43 128.34 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.71 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.752 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.632 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.433 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.752 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.622 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.4 m-70 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.407 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.531 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HB2' HD22 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD21 HD11 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.08 103.42 11.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.58 -43.28 7.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.718 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -123.73 103.75 8.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -82.34 121.25 26.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.32 129.56 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 0.0 111.108 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -89.7 86.77 6.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.294 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -89.81 104.96 17.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.871 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -71.52 171.85 10.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.343 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.1 -26.15 36.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.45 . . . . 0.0 109.918 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -151.1 146.66 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.803 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 m80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.173 176.514 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.785 0.326 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -101.59 -174.19 2.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' NH2' ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' H ' ' CG ' ' A' ' 27' ' ' ASP . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.482 ' HE2' ' HG2' ' A' ' 49' ' ' GLU . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 HD22 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HG2' ' HE2' ' A' ' 45' ' ' MET . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.465 ' CH2' HD11 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.732 HD12 HD22 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.429 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD22 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD21 HD22 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.472 ' HB2' HD12 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.453 ' HA ' HG22 ' A' ' 3' ' ' THR . 7.6 p-10 -89.16 18.53 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.08 98.55 8.71 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.254 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 m -69.57 97.04 0.98 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.8 tp -83.62 115.3 22.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.163 0.506 . . . . 0.0 111.317 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.69 165.03 23.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.775 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' C ' ' H ' ' A' ' 114' ' ' HIS . 44.3 m170 -79.8 -31.8 40.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.832 0.348 . . . . 0.0 110.101 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 71.6 -18.28 0.3 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.713 0.805 . . . . 0.0 112.198 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 112' ' ' HIS . 96.2 m-70 -82.79 119.86 24.89 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 172.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -72.26 126.62 30.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.115 0.483 . . . . 0.0 110.979 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.7 -42.92 73.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.921 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.872 0 O-C-N 124.454 1.096 . . . . 0.0 109.137 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.531 0.205 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -54.94 -41.21 70.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.084 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.46 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HB3' HG22 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.573 HD22 ' HB2' ' A' ' 53' ' ' TRP . 7.3 m120 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' HB3' HE21 ' A' ' 30' ' ' GLN . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 28' ' ' GLU . 72.1 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' HB2' HD22 ' A' ' 26' ' ' ASN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.652 HG22 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.526 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 65' ' ' ASN . 0.9 OUTLIER -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.479 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.422 HD11 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.51 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.405 HD11 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.552 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 108' ' ' ALA . 11.4 t70 -169.04 -167.14 0.7 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.479 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -77.37 142.44 39.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.761 0.315 . . . . 0.0 110.858 -177.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -101.09 133.7 45.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.42 137.52 37.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.03 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.11 149.2 28.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.96 121.98 29.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -71.97 -64.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -113.59 124.82 53.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -73.64 -18.11 61.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.72 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -87.78 84.34 7.05 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t60 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.827 -176.647 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -71.32 130.51 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.403 ' O ' HG21 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HA ' HD21 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 15.1 mm100 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.405 ' HE3' HE22 ' A' ' 52' ' ' GLN . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.414 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HA ' HG22 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.505 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 14.5 m120 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.583 ' HE1' ' HB3' ' A' ' 49' ' ' GLU . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' HB3' ' HE1' ' A' ' 45' ' ' MET . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' HD12 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 HE22 ' HE3' ' A' ' 24' ' ' TRP . 84.8 mm-40 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD12 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.478 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.52 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.444 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.56 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.517 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 HD11 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.444 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 -79.93 -160.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.21 85.71 7.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.104 0.478 . . . . 0.0 112.049 -171.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -79.39 135.72 36.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.013 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.46 -11.29 27.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.15 0.5 . . . . 0.0 110.603 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.685 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -128.23 136.24 50.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -62.5 -28.7 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.363 0.414 . . . . 0.0 111.908 -171.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 56.89 45.33 21.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.139 0.495 . . . . 0.0 110.999 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 m80 68.57 31.58 4.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.967 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -78.51 -38.72 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 170.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.909 178.318 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tmm? . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.835 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 19.4 p -145.61 178.06 8.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.309 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.835 ' HB3' ' H ' ' A' ' 2' ' ' THR . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' HB3' HG21 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.717 HD22 HD13 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.6 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 72.1 m-70 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' HA ' HE22 ' A' ' 52' ' ' GLN . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.66 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.66 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.517 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.511 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' HD12 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.717 HD13 HD22 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 HE22 ' HA ' ' A' ' 24' ' ' TRP . 58.4 tp60 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.575 HD12 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.592 HG21 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.5 m-70 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 104' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 70' ' ' PRO . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.521 ' HA ' ' HB2' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.445 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.533 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.473 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -128.54 152.01 48.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.98 -57.35 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 111' ' ' GLU . 49.1 m -94.14 114.97 27.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.19 12.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -169.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 109' ' ' SER . 42.9 mt-10 -66.64 -23.09 66.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 170.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -72.65 -12.64 61.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.911 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.88 -27.07 62.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -81.41 -45.59 15.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.239 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -123.77 117.17 24.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.366 178.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -62.09 -16.87 55.32 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD23 HD13 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' HA ' HG23 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.811 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.811 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.649 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.634 HD13 HD23 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.649 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.59 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.417 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD11 HG11 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.553 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 115' ' ' HIS . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.539 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.525 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.525 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.485 ' HH ' ' HG2' ' A' ' 42' ' ' MET . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.437 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 HD11 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.488 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 -78.39 164.65 24.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 142.5 27.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.42 . . . . 0.0 110.826 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.7 m -141.13 -171.41 3.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.29 160.6 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.71 -32.1 73.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.062 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -74.15 -3.63 30.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.719 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.57 107.23 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.984 0.421 . . . . 0.0 110.627 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.01 152.37 24.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.655 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.496 ' HA ' ' O ' ' A' ' 71' ' ' GLY . 44.0 m-70 -87.93 2.28 52.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.015 0.436 . . . . 0.0 111.151 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -145.54 165.51 28.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.737 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.197 -0.906 . . . . 0.0 108.647 179.023 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -68.28 162.85 24.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.666 HG23 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.664 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.432 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' NE2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.668 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.587 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HG2' ' HB3' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.445 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.601 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' HB2' HD11 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.407 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.422 ' HB3' ' HG2' ' A' ' 47' ' ' PRO . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.468 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD22 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.666 ' HB3' HG23 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HB2' HD11 ' A' ' 69' ' ' LEU . 7.8 t70 -75.88 168.3 20.28 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.96 112.0 23.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 0.0 111.85 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -125.6 109.64 12.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.914 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -70.18 150.86 46.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.001 0.429 . . . . 0.0 111.251 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 113' ' ' HIS . 10.6 pt-20 -65.7 -30.18 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.708 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.4 m80 62.19 26.09 15.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.414 ' H ' ' HG3' ' A' ' 111' ' ' GLU . 70.4 t60 -66.11 -33.95 76.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 126.65 37.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -105.39 142.88 34.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.187 0.518 . . . . 0.0 112.362 -171.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -149.73 119.15 6.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.986 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.261 -177.122 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.7 ' HE2' ' HB3' ' A' ' 5' ' ' ASP . 85.7 mtp . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.07 177.55 4.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.7 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' HG3' HD12 ' A' ' 103' ' ' LEU . 15.6 mm100 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.525 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 HD22 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.641 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.533 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.619 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.547 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.578 HD21 HD22 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.777 HE21 HD12 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.471 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.547 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.567 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.509 ' HB3' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.628 ' HB2' HD11 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.499 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' HH ' ' HB2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.499 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.468 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.77 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.77 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.676 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 -102.49 26.12 8.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.65 159.33 33.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.094 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.924 ' HA ' ' HA ' ' A' ' 117' ' ' HIS . 14.6 m -80.4 42.18 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.265 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.9 mt -122.72 2.77 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.31 -60.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.957 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -78.97 101.21 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.564 0.221 . . . . 0.0 110.782 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -85.89 -10.04 55.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.889 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -82.13 -7.96 59.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -128.13 -159.88 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.196 -1.365 . . . . 0.0 107.887 171.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -130.3 50.39 2.2 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.526 0.679 . . . . 0.0 109.321 167.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.924 ' HA ' ' HA ' ' A' ' 109' ' ' SER . 57.6 t60 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.194 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.576 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 56.5 p -146.79 179.93 7.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.63 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.576 ' HB3' ' H ' ' A' ' 2' ' ' THR . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.602 HG21 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.465 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 37' ' ' THR . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.646 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.646 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 33' ' ' GLN . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.542 ' CH2' HD11 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.568 ' HB2' ' HH ' ' A' ' 79' ' ' TYR . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD11 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.586 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 19.9 m-70 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.459 ' HG3' HD12 ' A' ' 62' ' ' LEU . 15.4 mm100 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.5 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' HH ' ' HB2' ' A' ' 51' ' ' LEU . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.5 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.602 ' HB3' HG21 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.591 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.63 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 -77.36 -171.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.94 94.34 6.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 t -105.6 142.43 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.992 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.3 tp -70.57 -19.96 62.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 110.365 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.78 -22.8 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -79.32 -12.86 59.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.7 m170 65.56 94.3 0.06 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.926 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -158.69 156.93 30.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.78 157.96 40.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -77.07 -34.99 57.0 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.857 172.696 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p -116.04 -179.27 3.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.919 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG21 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.561 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.561 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 81.1 m-70 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.538 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.821 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.618 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.821 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.618 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.655 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.603 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.595 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.717 HG22 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.413 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 109' ' ' SER . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.49 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.481 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HB3' HD11 ' A' ' 69' ' ' LEU . 35.0 t70 -104.76 84.29 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.46 150.69 20.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.029 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 68' ' ' PRO . 3.0 p -99.33 -170.06 1.85 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.533 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.33 154.14 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.051 0.453 . . . . 0.0 111.222 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.08 138.89 41.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -114.52 110.37 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.822 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 71.59 -36.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.036 0.934 . . . . 0.0 111.957 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -57.39 129.06 40.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -65.2 110.18 2.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.688 0.756 . . . . 0.0 112.417 -171.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -178.51 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.039 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.179 178.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -111.42 -175.83 2.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.02 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.582 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 95.9 m-70 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' NE2' ' HB2' ' A' ' 42' ' ' MET . 13.5 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.527 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.458 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.608 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.698 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.698 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.514 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.514 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.456 ' HE1' HD12 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.525 ' HG3' HD11 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.507 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.526 ' HB2' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.608 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.584 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.747 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.558 HD11 HG11 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.522 ' HB2' HG22 ' A' ' 3' ' ' THR . 7.7 t70 -73.8 105.2 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.19 114.63 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.658 ' HA ' ' HD2' ' A' ' 112' ' ' HIS . 7.5 p -69.52 2.08 3.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.528 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.56 -27.72 69.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 109.71 173.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -85.57 -0.23 54.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.856 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.658 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 88.0 m-70 -124.5 98.34 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.008 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -80.98 115.22 20.34 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -175.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -81.32 90.6 6.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.843 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -74.82 146.53 41.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -149.62 73.93 1.2 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.596 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.629 178.224 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.667 0.27 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 3' ' ' THR . 1.3 m -78.65 169.22 18.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.684 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.553 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HB3' HG22 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.58 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.496 ' HB3' ' HH ' ' A' ' 78' ' ' TYR . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.646 ' CH2' HD12 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.646 HD12 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.599 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.496 ' HH ' ' HB3' ' A' ' 47' ' ' PRO . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.553 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.44 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -101.97 99.98 10.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.7 106.27 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.61 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 42.6 m -58.65 86.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 124.222 0.952 . . . . 0.0 113.267 -167.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 109' ' ' SER . 18.3 mt -171.83 119.52 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.247 1.419 . . . . 0.0 107.397 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.91 11.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.357 . . . . 0.0 111.85 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -103.66 -11.22 17.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 110' ' ' LEU . 31.9 m170 -80.41 -69.19 0.61 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.43 142.43 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -92.01 133.66 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -65.8 -57.88 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.629 0.252 . . . . 0.0 110.354 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.622 177.6 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m 58.92 96.76 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' OE1' HD12 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB3' HG21 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.608 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.522 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.483 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.483 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.508 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.522 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.516 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.6 m-70 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' C ' ' H ' ' A' ' 69' ' ' LEU . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.468 HD23 HD13 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.548 HD12 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.49 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.607 ' HB3' HG21 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.437 ' HA ' HD11 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.517 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 -111.23 129.26 56.02 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.42 96.8 8.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.915 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.7 m -84.86 165.63 17.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.065 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -86.67 -57.41 3.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.78 -176.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -78.85 136.05 37.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -120.26 131.87 55.1 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.42 -37.48 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 109.395 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -117.81 142.16 47.61 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -75.0 6.33 4.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -132.45 -85.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 170.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.965 177.527 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -115.17 168.76 9.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.528 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 38' ' ' GLN . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.634 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.634 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' TRP . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.52 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.657 HG21 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.581 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.487 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.452 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.524 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.491 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.646 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HA ' HD11 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.507 ' HB2' HG23 ' A' ' 3' ' ' THR . 37.4 t70 -85.88 17.78 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.78 5.04 45.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.503 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 m -58.51 -44.06 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.098 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -95.32 94.07 7.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.453 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -33.2 75.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.896 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.16 88.41 7.63 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 167.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -69.91 -9.28 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.595 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -95.22 3.25 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.192 0.52 . . . . 0.0 110.263 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -125.25 126.01 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.154 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.05 166.99 21.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.921 173.767 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.58 0.229 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -20.77 66.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG21 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.759 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD21 HD23 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 HE21 ' A' ' 52' ' ' GLN . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 28' ' ' GLU . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' H ' ' CG ' ' A' ' 27' ' ' ASP . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.607 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 35' ' ' ASN . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.577 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD23 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.714 HE21 HD13 ' A' ' 18' ' ' LEU . 49.7 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.607 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.577 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.759 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB2' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.489 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.94 160.22 26.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.32 -7.77 51.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -81.16 -8.29 59.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 111.086 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.02 146.98 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.981 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.6 136.51 47.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.583 174.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.74 -51.74 17.96 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -88.64 104.32 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.02 163.09 28.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.474 -170.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -133.12 160.7 36.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.187 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -110.3 -28.52 8.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.856 178.134 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.26 1.96 17.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.946 -171.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 91.0 m-70 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.703 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.703 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.442 ' CH2' HD12 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HB3' HD11 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.483 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.589 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.458 ' HE1' ' CZ ' ' A' ' 104' ' ' PHE . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 HD11 ' HE2' ' A' ' 59' ' ' MET . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.481 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.481 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 26.7 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.434 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.506 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.492 HD21 HD11 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.709 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.458 ' CZ ' ' HE1' ' A' ' 59' ' ' MET . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -98.72 140.78 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.03 23.02 10.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 p -133.09 29.63 4.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.622 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 mt -48.56 131.49 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.761 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.22 144.86 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.616 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -113.64 158.28 21.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.484 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -68.58 -40.78 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.54 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -118.11 112.99 20.92 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -85.4 162.22 19.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.217 0.532 . . . . 0.0 111.9 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -126.3 123.71 38.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.081 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m80 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.422 -173.79 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.23 46.79 2.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.698 0.624 . . . . 0.0 112.44 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HA ' HD21 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.567 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.559 HG11 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 HD12 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.694 HD12 HE21 ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.96 ' HB3' HE22 ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.612 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.689 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.1 mm100 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 59.3 t60 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.689 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.83 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.83 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.582 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD12 HD23 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.449 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.96 HE22 ' HB3' ' A' ' 23' ' ' HIS . 49.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.612 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.548 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.548 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.596 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 34.8 m-70 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.1 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.51 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 HD23 HD12 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.494 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.477 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 -82.42 84.65 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.21 140.7 52.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.9 t -81.63 140.67 34.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.139 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -27.0 68.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.409 0.623 . . . . 0.0 109.924 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.418 ' OE1' ' HA ' ' A' ' 114' ' ' HIS . 41.7 tt0 -106.88 107.35 18.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -67.05 -34.71 78.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.292 -174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -111.73 81.86 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.418 ' HA ' ' OE1' ' A' ' 111' ' ' GLU . 76.9 t60 -92.45 115.84 28.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.208 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -87.49 168.91 12.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.295 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -84.58 -14.39 48.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.065 0.46 . . . . 0.0 110.137 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.445 176.184 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.832 0.348 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -54.05 -33.31 57.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -170.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' OE1' HD11 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD13 HD23 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.556 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.473 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.473 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.617 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.444 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.617 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.589 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.556 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.574 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 8.6 m-70 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.8 t-20 -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 11.0 mm100 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.401 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.524 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' HZ2' ' HB2' ' A' ' 99' ' ' LYS . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.55 ' HB3' HG23 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.73 104.85 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.17 140.82 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.114 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 p -75.29 -16.88 60.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.748 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -93.45 112.26 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.22 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -41.76 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.573 . . . . 0.0 109.701 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -87.76 138.97 30.99 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.04 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -127.8 -176.59 3.82 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -86.62 -32.61 20.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -88.24 -19.23 27.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.089 0.471 . . . . 0.0 110.221 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -135.73 103.86 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.174 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.2 m80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.383 -0.817 . . . . 0.0 109.432 177.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p -97.48 177.58 5.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.306 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' HA ' HD21 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG21 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 25.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' OE1' ' HE1' ' A' ' 42' ' ' MET . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.725 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HA ' ' CE1' ' A' ' 79' ' ' TYR . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.555 ' CH2' HD11 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.493 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD11 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.781 HG21 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.408 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 11.9 m-70 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' A' ' 67' ' ' GLN . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.452 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.44 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.44 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.511 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.44 ' HB3' HG21 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.462 ' HB2' HG23 ' A' ' 3' ' ' THR . 5.8 t70 -76.11 99.07 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.97 140.66 29.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.667 -168.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -91.29 134.89 34.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.706 170.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.0 tp -66.63 -32.99 74.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.055 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -92.52 146.89 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 21.9 m-70 -106.73 134.91 49.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.033 -172.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.32 -22.85 23.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 166.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.49 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 25.5 m170 -122.74 124.83 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -57.72 -38.7 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -167.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.413 ' HB2' ' H ' ' A' ' 117' ' ' HIS . 26.6 m80 -113.32 -84.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.413 ' H ' ' HB2' ' A' ' 116' ' ' HIS . 34.6 m80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.465 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.6 0.238 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -74.33 -18.58 60.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.785 ' HB3' HG22 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.782 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.692 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.692 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.574 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.431 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.574 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.675 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.675 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.684 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.782 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD12 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.567 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.575 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 104' ' ' PHE . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.4 ' HD3' HD23 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.536 ' HB1' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.536 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.503 ' HE3' ' HA ' ' A' ' 78' ' ' TYR . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.676 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.58 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.468 ' HB3' HD11 ' A' ' 69' ' ' LEU . 23.2 t70 -88.56 115.12 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.89 178.4 7.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -96.93 178.3 5.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -81.84 -9.75 59.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.38 0.61 . . . . 0.0 109.67 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.56 165.41 12.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -89.16 -0.62 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.804 -171.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -127.11 140.47 52.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -71.0 -38.12 72.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -148.06 127.64 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.685 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.86 -175.01 5.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.083 0.468 . . . . 0.0 110.994 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.879 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.495 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 97.9 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.533 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.626 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.767 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.482 ' HB2' HD23 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.572 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' ASP . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 103' ' ' LEU . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.49 HH21 ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB3' ' HE3' ' A' ' 45' ' ' MET . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CH2' HD13 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD12 HD23 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.605 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' HG21 ' A' ' 3' ' ' THR . 7.6 p-10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . 9.4 m-80 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' HZ ' ' HE1' ' A' ' 53' ' ' TRP . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 52' ' ' GLN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.67 HG23 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.462 ' HA ' HD22 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.657 HG13 HD11 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' HG3' HD11 ' A' ' 103' ' ' LEU . 82.4 mm-40 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' MET . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.665 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 32' ' ' HIS . 82.9 m-20 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 34' ' ' PHE . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.624 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD11 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 98' ' ' GLU . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 19.4 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.668 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' HD13 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 41' ' ' PHE . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.603 HG23 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.597 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 7.4 m80 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 3.4 tp60 -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HA ' HG21 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.563 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.839 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.839 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 11' ' ' LEU . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.715 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 6' ' ' ARG . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.713 ' HB3' HG23 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.671 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.607 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.606 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HB2' HD12 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 97' ' ' LEU . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.506 ' HB2' HD12 ' A' ' 69' ' ' LEU . 7.8 t70 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.547 HG21 ' HB2' ' A' ' 107' ' ' ASP . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' HD11 ' A' ' 103' ' ' LEU . 28.8 mm-40 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.532 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.814 HD13 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.542 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.673 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.673 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.542 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.814 HE21 HD13 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.777 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.777 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 3' ' ' THR . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.639 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' HG21 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.681 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' SER . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.552 ' CH2' HD13 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD13 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' HG3' HD12 ' A' ' 62' ' ' LEU . 87.4 mm-40 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.643 ' HB3' HG22 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.639 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 65.9 m80 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.831 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.621 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.831 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.621 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.687 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 6.3 m80 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.499 ' HB3' HD12 ' A' ' 69' ' ' LEU . 35.0 t70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.725 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.725 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.487 ' HE3' HD11 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.585 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD11 HG13 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.578 ' HB2' HG21 ' A' ' 3' ' ' THR . 7.7 t70 . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 3' ' ' THR . 1.3 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.586 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD13 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' OE1' HD13 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.622 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.889 HG23 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.619 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 28.1 m80 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 HD12 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 HD12 ' A' ' 97' ' ' LEU . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.557 HD13 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.619 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HA ' HD13 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.684 ' HB3' HG23 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.669 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 HG23 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.526 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.53 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 97' ' ' LEU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' THR . 37.4 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HD22 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HG3' ' NE2' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.586 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.604 ' NE2' ' HG3' ' A' ' 25' ' ' ARG . 10.1 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.621 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD13 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 97' ' ' LEU . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.025 0.44 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 13.7 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.533 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 34' ' ' PHE . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.734 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CH2' HD13 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HB3' HD13 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.557 HD23 HD12 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 59' ' ' MET . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 78.9 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.721 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.419 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.704 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 84.0 mm-40 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 30' ' ' GLN . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 38.6 t-80 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.868 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.868 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 HD21 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.585 ' HG2' HD13 ' A' ' 18' ' ' LEU . 8.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 13.6 m80 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.612 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.5 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.59 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' H ' ' HB3' ' A' ' 25' ' ' ARG . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.625 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.625 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' MET . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.6 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.583 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 75.0 mm-40 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' LEU . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 69' ' ' LEU . 31.4 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.725 0.298 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HA ' HD22 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 73.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.749 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.749 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 83' ' ' LEU . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.804 HG23 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 16.0 m80 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 104' ' ' PHE . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 48' ' ' LEU . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 99' ' ' LYS . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.481 ' HB2' HG21 ' A' ' 3' ' ' THR . 5.8 t70 . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.225 -0.197 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 107' ' ' ASP . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.795 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.698 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.582 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE3' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.723 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.678 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.795 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD13 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.802 HG23 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 HD21 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' A' ' 67' ' ' GLN . 75.4 m-20 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 107' ' ' ASP . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD3' HD21 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.678 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 69' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.599 ' HB3' HD12 ' A' ' 69' ' ' LEU . 23.2 t70 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -64.43 128.34 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.71 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.495 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 97.9 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.533 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.626 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.767 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.482 ' HB2' HD23 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.572 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' ASP . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.08 103.42 11.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.58 -43.28 7.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.718 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -123.73 103.75 8.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -82.34 121.25 26.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.32 129.56 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 0.0 111.108 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -89.7 86.77 6.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.294 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -89.81 104.96 17.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.871 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -71.52 171.85 10.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.343 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.1 -26.15 36.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.45 . . . . 0.0 109.918 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -151.1 146.66 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.803 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 m80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.173 176.514 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.785 0.326 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -101.59 -174.19 2.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 103' ' ' LEU . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.49 HH21 ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB3' ' HE3' ' A' ' 45' ' ' MET . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CH2' HD13 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD12 HD23 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.605 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' HG21 ' A' ' 3' ' ' THR . 7.6 p-10 -89.16 18.53 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.08 98.55 8.71 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.254 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 m -69.57 97.04 0.98 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.8 tp -83.62 115.3 22.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.163 0.506 . . . . 0.0 111.317 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.69 165.03 23.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.775 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 114' ' ' HIS . 44.3 m170 -79.8 -31.8 40.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.832 0.348 . . . . 0.0 110.101 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 71.6 -18.28 0.3 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.713 0.805 . . . . 0.0 112.198 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 112' ' ' HIS . 96.2 m-70 -82.79 119.86 24.89 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 172.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -72.26 126.62 30.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.115 0.483 . . . . 0.0 110.979 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.7 -42.92 73.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.921 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.872 0 O-C-N 124.454 1.096 . . . . 0.0 109.137 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 63.1 mtt . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.531 0.205 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -54.94 -41.21 70.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.084 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 1' ' ' MET . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.482 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . 9.4 m-80 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' HZ ' ' HE1' ' A' ' 53' ' ' TRP . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 52' ' ' GLN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.67 HG23 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 108' ' ' ALA . 11.4 t70 -169.04 -167.14 0.7 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.442 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -77.37 142.44 39.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.761 0.315 . . . . 0.0 110.858 -177.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -101.09 133.7 45.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.42 137.52 37.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.03 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.11 149.2 28.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.96 121.98 29.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -71.97 -64.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -113.59 124.82 53.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -73.64 -18.11 61.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.72 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -87.78 84.34 7.05 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t60 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.827 -176.647 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -71.32 130.51 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.462 ' HA ' HD22 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.657 HG13 HD11 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' HG3' HD11 ' A' ' 103' ' ' LEU . 82.4 mm-40 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' MET . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.665 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 32' ' ' HIS . 82.9 m-20 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 34' ' ' PHE . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.624 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD11 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 98' ' ' GLU . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 -79.93 -160.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.21 85.71 7.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.104 0.478 . . . . 0.0 112.049 -171.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -79.39 135.72 36.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.013 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.46 -11.29 27.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.15 0.5 . . . . 0.0 110.603 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.685 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -128.23 136.24 50.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -62.5 -28.7 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.363 0.414 . . . . 0.0 111.908 -171.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 56.89 45.33 21.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.139 0.495 . . . . 0.0 110.999 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 m80 68.57 31.58 4.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.967 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -78.51 -38.72 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 170.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.909 178.318 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 11.0 tmm? . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.911 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 19.4 p -145.61 178.06 8.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.309 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.911 ' HB3' ' H ' ' A' ' 2' ' ' THR . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.668 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' HD13 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 41' ' ' PHE . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.603 HG23 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.597 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 7.4 m80 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -128.54 152.01 48.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.98 -57.35 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.1 m -94.14 114.97 27.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.19 12.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -169.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.64 -23.09 66.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -72.65 -12.64 61.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.911 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.88 -27.07 62.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -81.41 -45.59 15.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.239 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -123.77 117.17 24.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.366 178.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -62.09 -16.87 55.32 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 3.4 tp60 -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HA ' HG21 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.563 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.839 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.839 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 11' ' ' LEU . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 115' ' ' HIS . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.715 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 -78.39 164.65 24.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 142.5 27.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.42 . . . . 0.0 110.826 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.7 m -141.13 -171.41 3.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.29 160.6 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.71 -32.1 73.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.062 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -74.15 -3.63 30.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.719 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.57 107.23 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.984 0.421 . . . . 0.0 110.627 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.01 152.37 24.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.655 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.501 ' HA ' ' O ' ' A' ' 71' ' ' GLY . 44.0 m-70 -87.93 2.28 52.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.015 0.436 . . . . 0.0 111.151 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -145.54 165.51 28.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.737 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.197 -0.906 . . . . 0.0 108.647 179.023 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -68.28 162.85 24.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 6' ' ' ARG . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.713 ' HB3' HG23 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.671 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.607 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.606 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HB2' HD12 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 97' ' ' LEU . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.506 ' HB2' HD12 ' A' ' 69' ' ' LEU . 7.8 t70 -75.88 168.3 20.28 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.96 112.0 23.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 0.0 111.85 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -125.6 109.64 12.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.914 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -70.18 150.86 46.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.001 0.429 . . . . 0.0 111.251 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' A' ' 113' ' ' HIS . 10.6 pt-20 -65.7 -30.18 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.708 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.4 m80 62.19 26.09 15.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.476 ' H ' ' HG3' ' A' ' 111' ' ' GLU . 70.4 t60 -66.11 -33.95 76.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 126.65 37.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -105.39 142.88 34.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.187 0.518 . . . . 0.0 112.362 -171.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -149.73 119.15 6.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.986 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.261 -177.122 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.07 177.55 4.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.547 HG21 ' HB2' ' A' ' 107' ' ' ASP . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' HD11 ' A' ' 103' ' ' LEU . 28.8 mm-40 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.532 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.814 HD13 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.542 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.673 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.673 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.542 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.814 HE21 HD13 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.777 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.777 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 3' ' ' THR . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 -102.49 26.12 8.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.65 159.33 33.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.094 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.919 ' HA ' ' HA ' ' A' ' 117' ' ' HIS . 14.6 m -80.4 42.18 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.265 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.9 mt -122.72 2.77 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.31 -60.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.957 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -78.97 101.21 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.564 0.221 . . . . 0.0 110.782 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -85.89 -10.04 55.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.889 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -82.13 -7.96 59.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -128.13 -159.88 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.196 -1.365 . . . . 0.0 107.887 171.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -130.3 50.39 2.2 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.526 0.679 . . . . 0.0 109.321 167.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.919 ' HA ' ' HA ' ' A' ' 109' ' ' SER . 57.6 t60 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.194 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.642 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 56.5 p -146.79 179.93 7.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.639 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HB3' ' H ' ' A' ' 2' ' ' THR . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' HG21 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.681 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' SER . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.552 ' CH2' HD13 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD13 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' HG3' HD12 ' A' ' 62' ' ' LEU . 87.4 mm-40 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.643 ' HB3' HG22 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.639 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 -77.36 -171.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.94 94.34 6.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 t -105.6 142.43 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.992 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.3 tp -70.57 -19.96 62.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 110.365 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.78 -22.8 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -79.32 -12.86 59.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.7 m170 65.56 94.3 0.06 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.926 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -158.69 156.93 30.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.78 157.96 40.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -77.07 -34.99 57.0 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.857 172.696 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p -116.04 -179.27 3.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.919 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.733 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 65.9 m80 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.831 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.621 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.831 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.621 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.687 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 6.3 m80 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HB2' ' HB3' ' A' ' 109' ' ' SER . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.499 ' HB3' HD12 ' A' ' 69' ' ' LEU . 35.0 t70 -104.76 84.29 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.46 150.69 20.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.029 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 68' ' ' PRO . 3.0 p -99.33 -170.06 1.85 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.533 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.33 154.14 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.051 0.453 . . . . 0.0 111.222 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.08 138.89 41.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -114.52 110.37 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.822 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 71.59 -36.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.036 0.934 . . . . 0.0 111.957 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -57.39 129.06 40.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -65.2 110.18 2.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.688 0.756 . . . . 0.0 112.417 -171.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -178.51 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.039 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.179 178.493 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -111.42 -175.83 2.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.02 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.725 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.725 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.487 ' HE3' HD11 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.585 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD11 HG13 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.578 ' HB2' HG21 ' A' ' 3' ' ' THR . 7.7 t70 -73.8 105.2 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.19 114.63 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.657 ' HA ' ' HD2' ' A' ' 112' ' ' HIS . 7.5 p -69.52 2.08 3.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.528 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.56 -27.72 69.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 109.71 173.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -85.57 -0.23 54.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.856 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.657 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 88.0 m-70 -124.5 98.34 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.008 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -80.98 115.22 20.34 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -175.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -81.32 90.6 6.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.843 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -74.82 146.53 41.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -149.62 73.93 1.2 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.596 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.629 178.224 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.667 0.27 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 3' ' ' THR . 1.3 m -78.65 169.22 18.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.684 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.586 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD13 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -101.97 99.98 10.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.7 106.27 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 42.6 m -58.65 86.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 124.222 0.952 . . . . 0.0 113.267 -167.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 109' ' ' SER . 18.3 mt -171.83 119.52 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.247 1.419 . . . . 0.0 107.397 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.91 11.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.357 . . . . 0.0 111.85 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -103.66 -11.22 17.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.473 ' CE1' HD12 ' A' ' 110' ' ' LEU . 31.9 m170 -80.41 -69.19 0.61 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.43 142.43 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -92.01 133.66 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -65.8 -57.88 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.629 0.252 . . . . 0.0 110.354 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.622 177.6 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m 58.92 96.76 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' OE1' HD13 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.622 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.889 HG23 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.619 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 28.1 m80 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 HD12 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 HD12 ' A' ' 97' ' ' LEU . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.557 HD13 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.619 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HA ' HD13 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 -111.23 129.26 56.02 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.42 96.8 8.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.915 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.7 m -84.86 165.63 17.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.065 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -86.67 -57.41 3.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.78 -176.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -78.85 136.05 37.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -120.26 131.87 55.1 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.42 -37.48 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 109.395 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -117.81 142.16 47.61 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -75.0 6.33 4.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -132.45 -85.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 170.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.965 177.527 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -115.17 168.76 9.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.684 ' HB3' HG23 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.669 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 HG23 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.526 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.53 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 97' ' ' LEU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' THR . 37.4 t70 -85.88 17.78 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.78 5.04 45.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.503 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 m -58.51 -44.06 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.098 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -95.32 94.07 7.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.453 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -63.92 -33.2 75.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.896 -179.343 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.16 88.41 7.63 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 167.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -69.91 -9.28 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.595 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -95.22 3.25 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.192 0.52 . . . . 0.0 110.263 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -125.25 126.01 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.154 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.05 166.99 21.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.921 173.767 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.58 0.229 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -20.77 66.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HD22 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.604 ' HG3' ' NE2' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.586 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.604 ' NE2' ' HG3' ' A' ' 25' ' ' ARG . 10.1 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.621 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD13 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 97' ' ' LEU . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.94 160.22 26.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.32 -7.77 51.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -81.16 -8.29 59.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 111.086 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.02 146.98 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.981 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.6 136.51 47.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.583 174.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.74 -51.74 17.96 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -88.64 104.32 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.02 163.09 28.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.474 -170.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -133.12 160.7 36.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.187 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -110.3 -28.52 8.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.856 178.134 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.26 1.96 17.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.946 -171.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 13.7 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.533 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 34' ' ' PHE . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.734 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CH2' HD13 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HB3' HD13 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.557 HD23 HD12 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 59' ' ' MET . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 78.9 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.721 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.419 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -98.72 140.78 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.03 23.02 10.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 p -133.09 29.63 4.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.622 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 mt -48.56 131.49 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.761 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.22 144.86 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.616 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -113.64 158.28 21.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.484 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -68.58 -40.78 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.54 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -118.11 112.99 20.92 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -85.4 162.22 19.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.217 0.532 . . . . 0.0 111.9 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -126.3 123.71 38.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.081 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m80 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.422 -173.79 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.23 46.79 2.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.698 0.624 . . . . 0.0 112.44 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.585 HD13 ' HG2' ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' HB3' ' OE1' ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.704 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 84.0 mm-40 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 30' ' ' GLN . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 38.6 t-80 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.868 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.868 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 HD21 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.585 ' HG2' HD13 ' A' ' 18' ' ' LEU . 8.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 13.6 m80 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.612 ' HB2' HD12 ' A' ' 62' ' ' LEU . 46.5 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 -82.42 84.65 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.21 140.7 52.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.9 t -81.63 140.67 34.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.139 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -27.0 68.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.409 0.623 . . . . 0.0 109.924 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 114' ' ' HIS . 41.7 tt0 -106.88 107.35 18.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -67.05 -34.71 78.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.292 -174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -111.73 81.86 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' HA ' ' OE1' ' A' ' 111' ' ' GLU . 76.9 t60 -92.45 115.84 28.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.208 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -87.49 168.91 12.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.295 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -84.58 -14.39 48.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.065 0.46 . . . . 0.0 110.137 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.445 176.184 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.832 0.348 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -54.05 -33.31 57.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -170.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.59 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' H ' ' HB3' ' A' ' 25' ' ' ARG . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.625 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.625 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' MET . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.6 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.583 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 75.0 mm-40 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' LEU . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 69' ' ' LEU . 31.4 t70 -79.73 104.85 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.17 140.82 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.114 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 p -75.29 -16.88 60.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.748 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -93.45 112.26 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.22 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -83.08 -41.76 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.573 . . . . 0.0 109.701 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -87.76 138.97 30.99 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.04 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -127.8 -176.59 3.82 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -86.62 -32.61 20.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -88.24 -19.23 27.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.089 0.471 . . . . 0.0 110.221 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -135.73 103.86 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.174 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.2 m80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.383 -0.817 . . . . 0.0 109.432 177.939 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p -97.48 177.58 5.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.306 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HA ' HD22 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 73.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.749 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.749 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 83' ' ' LEU . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.804 HG23 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 16.0 m80 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 104' ' ' PHE . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 48' ' ' LEU . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 99' ' ' LYS . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.481 ' HB2' HG21 ' A' ' 3' ' ' THR . 5.8 t70 -76.11 99.07 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.97 140.66 29.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.667 -168.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -91.29 134.89 34.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.706 170.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.0 tp -66.63 -32.99 74.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.055 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -92.52 146.89 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 21.9 m-70 -106.73 134.91 49.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.033 -172.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.32 -22.85 23.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 166.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 25.5 m170 -122.74 124.83 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -57.72 -38.7 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -167.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -113.32 -84.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.465 178.879 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.6 0.238 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -74.33 -18.58 60.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 107' ' ' ASP . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.795 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.698 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.582 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE3' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.723 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.678 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.795 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD13 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.802 HG23 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD21 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' A' ' 67' ' ' GLN . 75.4 m-20 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 107' ' ' ASP . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD3' HD21 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.678 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 69' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.599 ' HB3' HD12 ' A' ' 69' ' ' LEU . 23.2 t70 -88.56 115.12 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.89 178.4 7.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -96.93 178.3 5.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -81.84 -9.75 59.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.38 0.61 . . . . 0.0 109.67 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.56 165.41 12.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -89.16 -0.62 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.804 -171.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -127.11 140.47 52.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -71.0 -38.12 72.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -148.06 127.64 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.685 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.86 -175.01 5.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.083 0.468 . . . . 0.0 110.994 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.879 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.495 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 26.3 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.533 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.626 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.767 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.4 m-70 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.482 ' HB2' HD23 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.572 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' ASP . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 103' ' ' LEU . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.49 HH21 ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB3' ' HE3' ' A' ' 45' ' ' MET . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CH2' HD13 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD12 HD23 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.605 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.549 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' HG21 ' A' ' 3' ' ' THR . 7.6 p-10 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.609 HD21 ' HB2' ' A' ' 53' ' ' TRP . 7.3 m120 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB3' HE21 ' A' ' 30' ' ' GLN . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.488 HE21 ' HB3' ' A' ' 28' ' ' GLU . 72.1 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.404 ' HZ ' ' HE1' ' A' ' 53' ' ' TRP . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.609 ' HB2' HD21 ' A' ' 26' ' ' ASN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.67 HG23 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.234 0.271 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.462 ' HA ' HD22 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.657 HG13 HD11 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 15.1 mm100 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' MET . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.43 ' HE3' HE22 ' A' ' 52' ' ' GLN . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.406 ' NE2' ' HD2' ' A' ' 31' ' ' PRO . 13.9 mm100 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.515 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 14.5 m120 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 34' ' ' PHE . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.43 HE22 ' HE3' ' A' ' 24' ' ' TRP . 84.8 mm-40 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.624 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.657 HD11 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 98' ' ' GLU . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 6' ' ' ARG . 19.4 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.594 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.594 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 72.1 m-70 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HA ' HE22 ' A' ' 52' ' ' GLN . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.668 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' HD13 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.502 HE22 ' HA ' ' A' ' 24' ' ' TRP . 58.4 tp60 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 41' ' ' PHE . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.603 HG23 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.597 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.5 m-70 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.552 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' HG3' HE22 ' A' ' 30' ' ' GLN . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HA ' HG21 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.563 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.839 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.839 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 11' ' ' LEU . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.715 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 6' ' ' ARG . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.713 ' HB3' HG23 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.671 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.501 ' NE2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.607 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.606 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HB2' HD12 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 97' ' ' LEU . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.506 ' HB2' HD12 ' A' ' 69' ' ' LEU . 7.8 t70 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.352 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.547 HG21 ' HB2' ' A' ' 107' ' ' ASP . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' HD11 ' A' ' 103' ' ' LEU . 15.6 mm100 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.532 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.814 HD13 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.542 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.673 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.673 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.542 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.814 HE21 HD13 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.777 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.777 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 3' ' ' THR . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.639 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HE1' HD12 ' A' ' 92' ' ' LEU . 84.1 m-70 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' HG21 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.681 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' SER . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.552 ' CH2' HD13 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD13 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 19.9 m-70 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' HG3' HD12 ' A' ' 62' ' ' LEU . 15.4 mm100 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.404 HD12 ' HE1' ' A' ' 21' ' ' HIS . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.643 ' HB3' HG22 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.594 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.639 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 81.1 m-70 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.831 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.621 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.831 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.621 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.687 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 6.6 m-70 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.4 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.499 ' HB3' HD12 ' A' ' 69' ' ' LEU . 35.0 t70 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.586 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.586 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 95.9 m-70 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' HB2' ' A' ' 42' ' ' MET . 13.5 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.725 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.725 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.487 ' HE3' HD11 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.585 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.57 HD11 HG13 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.578 ' HB2' HG21 ' A' ' 3' ' ' THR . 7.7 t70 . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 3' ' ' THR . 1.3 m . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 110.684 -0.117 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.586 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD13 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.557 ' OE1' HD13 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.622 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.889 HG23 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.619 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.543 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.6 m-70 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 HD12 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 HD12 ' A' ' 97' ' ' LEU . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.557 HD13 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.619 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HA ' HD13 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.684 ' HB3' HG23 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.669 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 HG23 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.522 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.526 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.53 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 97' ' ' LEU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' THR . 37.4 t70 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.207 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HD22 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.77 HD13 HE21 ' A' ' 52' ' ' GLN . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.586 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.77 HE21 HD13 ' A' ' 18' ' ' LEU . 49.7 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.621 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD13 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 97' ' ' LEU . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.535 0.384 0 CA-C-O 121.025 0.44 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 91.0 m-70 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.487 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.533 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 34' ' ' PHE . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.734 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CH2' HD13 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HB3' HD13 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.557 HD23 HD12 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 59' ' ' MET . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 26.7 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.721 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.419 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.702 HD13 HE21 ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 1.007 ' HB3' HE22 ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.704 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.1 mm100 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 30' ' ' GLN . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 59.3 t60 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.868 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.868 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 HD21 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 1.007 HE22 ' HB3' ' A' ' 23' ' ' HIS . 49.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 34.8 m-70 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.612 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.1 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.59 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' H ' ' HB3' ' A' ' 25' ' ' ARG . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.625 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.625 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' MET . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.6 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.583 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 8.6 m-70 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.8 t-20 -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 11.0 mm100 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.4 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' LEU . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 69' ' ' LEU . 31.4 t70 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.725 0.298 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HA ' HD22 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 25.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.432 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.749 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.749 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 83' ' ' LEU . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.804 HG23 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 11.9 m-70 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 104' ' ' PHE . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 48' ' ' LEU . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 99' ' ' LYS . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.481 ' HB2' HG21 ' A' ' 3' ' ' THR . 5.8 t70 . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p . . . . . 0 C--O 1.225 -0.197 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 107' ' ' ASP . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.795 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.698 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.582 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE3' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.723 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.678 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.795 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD13 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.802 HG23 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 HD21 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' A' ' 67' ' ' GLN . 12.1 m120 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 107' ' ' ASP . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD3' HD21 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.678 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 69' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.599 ' HB3' HD12 ' A' ' 69' ' ' LEU . 23.2 t70 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 m -64.43 128.34 35.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.71 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 m -63.05 -44.63 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.011 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -63.77 -20.0 65.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.861 0.363 . . . . 0.0 111.012 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 38.6 t70 -82.87 -39.32 21.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.719 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -66.22 -34.65 78.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.491 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.13 -30.6 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.276 0.56 . . . . 0.0 110.053 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 16.3 ttp180 -62.51 -43.13 99.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.877 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.59 -37.98 88.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.262 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -60.01 -42.62 94.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.704 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB3' HG23 ' A' ' 56' ' ' ILE . 93.1 mt -59.84 -37.94 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 0.0 110.483 177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -75.86 -26.05 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.986 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.32 -41.5 80.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.11 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -65.43 -39.57 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.763 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.12 -42.31 98.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.52 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.6 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD21 HG12 ' A' ' 93' ' ' ILE . 8.7 tt -63.82 -39.45 94.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' GLN . 95.7 mt -76.8 -15.12 59.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.936 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 19' ' ' ARG . 8.5 tpt180 -80.95 -40.27 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.042 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.04 -50.29 35.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 109.62 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.72 59.46 1.75 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' ' 18' ' ' LEU . 79.9 mt-30 -35.77 96.5 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 113.839 -1.528 . . . . 0.0 113.719 -175.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -138.9 22.63 2.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.498 171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.495 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 66.0 t-105 -68.11 133.75 49.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.985 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -113.65 137.96 50.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.636 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -125.05 107.13 10.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.747 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.469 ' HB3' ' CE2' ' A' ' 53' ' ' TRP . 30.5 t70 -86.71 144.24 27.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.568 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 8.5 tp10 -91.5 98.67 1.9 Allowed Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -17.33 82.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.946 1 C-N-CA 125.811 4.341 . . . . 0.0 115.547 -162.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 26.3 mt-30 -91.33 108.48 29.12 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.33 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -61.99 -24.95 77.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.841 2.361 . . . . 0.0 112.089 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -56.18 -32.35 64.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.484 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.533 ' HA ' HG21 ' A' ' 44' ' ' THR . 53.0 tt0 -74.75 -23.7 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.323 -176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -106.82 -25.87 11.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.664 0.269 . . . . 0.0 111.583 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -78.53 1.63 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 111.493 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.4 p -75.17 -31.77 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 166.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.7 m 62.86 27.96 16.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.322 172.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 91.3 mt-30 -82.85 148.18 56.71 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.218 174.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -36.05 89.94 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.602 2.201 . . . . 0.0 112.747 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -123.94 8.09 8.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.502 -178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 38.1 m-85 48.14 54.69 9.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.491 0.494 . . . . 0.0 111.067 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 mtt -74.09 -36.54 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.741 -171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -96.61 -13.54 22.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.85 0.357 . . . . 0.0 111.31 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.533 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -84.34 -28.32 27.12 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.803 -176.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.626 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 33.0 ttm -168.98 -174.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.626 ' H ' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm-40 -69.0 139.8 90.72 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.64 -11.06 10.51 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.163 2.575 . . . . 0.0 112.938 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.52 -25.54 45.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -82.76 4.75 23.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.835 0.35 . . . . 0.0 111.458 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.437 ' CH2' HD13 ' A' ' 55' ' ' LEU . 90.2 t90 -89.83 -39.08 13.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.774 175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' O ' ' HB3' ' A' ' 55' ' ' LEU . 31.9 tp -55.6 -49.89 71.57 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.85 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 24' ' ' TRP . 25.0 pt20 -101.44 164.87 11.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.78 177.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 27' ' ' ASP . 69.9 t-105 71.78 -47.79 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.818 0.699 . . . . 0.0 112.004 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.09 -69.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.191 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 62.2 tp -54.73 -52.77 61.46 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.767 HG23 ' HB3' ' A' ' 11' ' ' LEU . 75.7 mt -57.25 -58.63 16.67 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.645 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.7 Cg_exo -65.62 -32.3 48.29 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.812 1.675 . . . . 0.0 112.386 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.01 -45.09 93.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.254 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.1 mmt -72.81 -31.87 65.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.199 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.411 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.4 m-70 -52.87 -49.08 66.53 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.99 -38.96 76.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.5 tt -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.096 0.474 . . . . 0.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' MET . 70.4 mt -61.86 -43.01 99.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.623 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' ' HD2' ' A' ' 66' ' ' LYS . 19.7 t70 -66.81 -34.96 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.707 -178.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -78.98 12.23 2.3 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 64' ' ' ASP . 10.0 mptt 63.07 17.48 10.18 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 122.749 0.419 . . . . 0.0 111.461 176.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 16.1 mm100 -69.37 137.69 88.89 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.94 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 31.1 Cg_exo -60.52 147.22 95.12 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.86 2.374 . . . . 0.0 111.563 176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.16 129.05 62.53 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.297 -177.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 5.2 Cg_endo -49.47 111.09 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.676 2.251 . . . . 0.0 111.543 174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.51 67.71 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.508 -0.769 . . . . 0.0 113.994 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.13 28.21 8.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.102 0.451 . . . . 0.0 111.182 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 68.8 t80 -72.35 114.82 10.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -147.51 107.91 4.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.25 -16.67 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.252 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -56.43 -51.96 76.99 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.772 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.4 Cg_endo -59.96 -22.73 70.15 Favored 'Trans proline' 0 C--N 1.358 1.06 0 C-N-CA 122.225 1.95 . . . . 0.0 112.759 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -78.66 -52.38 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.91 0.386 . . . . 0.0 110.107 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 58.3 m-85 -71.5 -13.71 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.489 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -63.0 -26.58 68.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.123 0.487 . . . . 0.0 110.031 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 mtm -104.17 -37.52 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.31 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -66.48 -33.35 75.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.5 -178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD23 ' HB2' ' A' ' 90' ' ' ARG . 30.4 tp -102.11 116.15 32.07 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.01 147.89 22.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.662 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.3 p -70.68 -11.93 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.58 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.27 -11.13 56.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.179 -174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 9.3 t60 -118.37 88.46 33.39 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.3 -23.93 48.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.574 2.849 . . . . 0.0 113.372 -175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.4 mt-30 -69.87 -0.83 7.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.381 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.482 ' HB2' HD23 ' A' ' 83' ' ' LEU . 26.1 ptt180 -63.86 -20.57 65.92 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.61 68.61 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.085 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -62.15 -45.17 94.63 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.188 0.518 . . . . 0.0 110.234 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 52.6 mt -69.32 -44.91 80.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.075 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HD12 ' A' ' 97' ' ' LEU . 83.3 mt -60.81 -39.36 88.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.061 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.64 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.702 0.287 . . . . 0.0 110.939 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -67.86 -35.51 78.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.572 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.2 mt -67.99 -50.81 53.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.0 mt-10 -61.32 -27.52 68.55 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -76.04 -39.52 55.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.909 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.5 -51.55 62.4 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.229 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.572 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.91 -33.73 69.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.367 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 106' ' ' ASP . . . -66.66 -23.11 66.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.555 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.47 -36.81 32.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.985 0.421 . . . . 0.0 110.307 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -70.76 -31.1 67.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.144 0.497 . . . . 0.0 110.581 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.32 11.91 17.66 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.629 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' ALA . 17.4 t70 -99.42 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.667 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -82.08 103.42 11.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -97.58 -43.28 7.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.718 -174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -123.73 103.75 8.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.3 tp -82.34 121.25 26.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.32 129.56 40.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.879 0.371 . . . . 0.0 111.108 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -89.7 86.77 6.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.294 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -89.81 104.96 17.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.871 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -71.52 171.85 10.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.343 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -81.1 -26.15 36.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.046 0.45 . . . . 0.0 109.918 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -151.1 146.66 26.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.803 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 m80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.173 176.514 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.785 0.326 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -101.59 -174.19 2.54 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 HG21 ' HA ' ' A' ' 107' ' ' ASP . 29.9 m -58.15 -28.28 64.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.013 175.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -65.21 -34.13 77.64 Favored 'General case' 0 C--N 1.335 -0.065 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.732 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.43 -46.52 79.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.379 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -58.88 -50.2 74.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.573 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG22 ' HB3' ' A' ' 103' ' ' LEU . 37.5 t -66.14 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.845 -178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -67.77 -41.65 82.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.739 0.304 . . . . 0.0 110.203 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.98 -36.48 82.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.371 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' OE1' ' HB3' ' A' ' 99' ' ' LYS . 24.3 tp60 -65.21 -39.73 93.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.512 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' HB3' HG23 ' A' ' 56' ' ' ILE . 78.8 mt -61.38 -42.02 98.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.237 175.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 98.2 mt-30 -72.22 -23.74 61.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.267 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -47.89 61.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 110.026 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD21 HD11 ' A' ' 51' ' ' LEU . 64.5 tp -66.62 -34.81 78.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.745 175.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.541 ' HB2' ' HA ' ' A' ' 12' ' ' GLN . 6.2 tt0 -54.67 -45.22 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.832 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -41.24 62.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.12 178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.2 tt -56.75 -46.15 81.58 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.98 0.419 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.98 -35.77 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.49 HH21 ' HG2' ' A' ' 15' ' ' GLU . 19.2 ttm180 -66.39 -47.22 74.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.606 -178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -63.52 -34.69 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.262 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -98.31 23.36 8.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.56 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 57.44 27.86 14.57 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -99.67 -8.38 24.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.105 0.478 . . . . 0.0 109.89 173.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.405 ' CB ' ' HA ' ' A' ' 19' ' ' ARG . 25.4 t-105 -87.17 109.02 19.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.564 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.25 -43.95 1.15 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.979 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 49.92 73.33 0.26 Allowed 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.713 0.633 . . . . 0.0 109.897 -173.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -78.0 -175.13 3.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.646 -172.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -72.92 112.99 17.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 53' ' ' TRP . 49.0 Cg_endo -68.62 120.46 7.38 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.659 2.239 . . . . 0.0 112.784 -176.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -106.15 128.49 26.25 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.87 -35.39 59.47 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.002 2.468 . . . . 0.0 113.06 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -59.7 -34.96 73.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.936 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -63.21 -28.05 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.0 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -97.2 -20.19 18.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.416 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -76.71 0.41 20.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 44' ' ' THR . 8.3 p -62.94 -30.08 71.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 168.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 37' ' ' THR . 9.2 m 64.37 24.17 13.17 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.196 172.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -99.18 149.96 36.27 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.786 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.48 -22.21 73.92 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.583 2.189 . . . . 0.0 113.007 -176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.73 3.96 9.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' HD1' ' OG ' ' A' ' 36' ' ' SER . 48.8 m-85 48.11 51.6 14.46 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.457 0.473 . . . . 0.0 110.752 -177.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -68.66 -30.0 68.6 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.57 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -89.08 -32.67 17.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.471 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 36' ' ' SER . 2.9 p -79.96 -44.63 19.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB3' ' HE3' ' A' ' 45' ' ' MET . 96.4 mmm -136.03 -169.3 2.39 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HB2' ' HD2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -110.24 157.66 37.4 Favored Pre-proline 0 C--N 1.317 -0.825 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 173.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 46' ' ' GLU . 9.5 Cg_endo -53.46 -25.25 31.24 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.07 2.513 . . . . 0.0 112.534 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD21 HD21 ' A' ' 83' ' ' LEU . 90.2 mt -65.99 -24.15 66.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.026 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.22 -37.22 15.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.468 ' CH2' HD13 ' A' ' 55' ' ' LEU . 78.1 t90 -66.93 -28.97 68.73 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD12 HD23 ' A' ' 55' ' ' LEU . 31.9 tp -55.11 -37.76 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.669 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -104.94 173.25 6.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.125 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' A' ' 29' ' ' PRO . 65.9 t-105 66.2 -52.73 0.41 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.3 t -96.94 -73.55 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.713 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD23 HD12 ' A' ' 51' ' ' LEU . 68.1 tp -49.66 -69.07 0.13 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -169.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.605 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 71.5 mt -56.3 -55.03 46.52 Favored Pre-proline 0 CA--C 1.542 0.638 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -176.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.605 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.4 Cg_exo -61.06 -38.56 66.94 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.034 1.823 . . . . 0.0 113.24 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 58' ' ' ARG . 27.2 ttt180 -71.76 -32.82 68.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.061 0.458 . . . . 0.0 110.486 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 17.0 mmt -72.43 -27.64 62.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.414 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.5 m-70 -57.35 -38.32 73.97 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 172.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.88 -54.81 29.03 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.429 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 tp -49.01 -44.94 41.74 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.42 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.563 HD23 HD21 ' A' ' 69' ' ' LEU . 54.1 mt -70.76 -48.77 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.939 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.19 -26.76 61.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.041 -174.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.466 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.49 -4.01 37.29 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.21 176.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.1 mttm 66.51 27.01 9.84 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.621 173.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -85.83 155.98 58.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.513 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -58.53 152.08 57.61 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.776 2.318 . . . . 0.0 112.131 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD21 HD23 ' A' ' 63' ' ' LEU . 85.6 mt -99.79 138.06 20.31 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.481 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -74.24 103.86 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.54 2.16 . . . . 0.0 111.452 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -64.38 -28.23 72.79 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.144 -174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.75 20.29 4.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.998 0.427 . . . . 0.0 111.49 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -94.33 121.63 36.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.015 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HA ' ' OD1' ' A' ' 101' ' ' ASP . . . -148.14 121.56 9.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.179 178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 15.8 m -97.52 -30.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.989 -177.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -55.57 -48.78 95.66 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 77.0 Cg_exo -52.75 -31.4 50.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 122.531 2.154 . . . . 0.0 113.021 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -80.98 -39.07 26.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.683 0.278 . . . . 0.0 110.381 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 24.8 m-85 -67.74 -18.31 64.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.369 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 49.0 mt-10 -64.48 -28.24 69.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 0.0 109.977 172.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 59.9 mtp -93.34 -39.79 10.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.353 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.129 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 90' ' ' ARG . 68.2 mt -89.45 132.03 35.21 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 -173.55 4.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.012 0.434 . . . . 0.0 111.928 -173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -3.58 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.95 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -107.54 159.66 16.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.471 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 t60 72.93 88.11 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.404 0 O-C-N 123.685 0.616 . . . . 0.0 110.586 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.32 -14.06 39.75 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.699 2.933 . . . . 0.0 113.581 -174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.43 -5.48 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.191 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.532 ' HB2' HD13 ' A' ' 83' ' ' LEU . 32.9 ptt180 -61.05 -32.1 71.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.34 -29.15 70.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.551 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.4 -52.27 54.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.455 0.645 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.9 mt -64.28 -45.29 96.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.584 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.9 mt -57.12 -50.23 73.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.758 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.92 94.4 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.015 0.436 . . . . 0.0 111.376 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 99' ' ' LYS . 17.5 tp10 -66.34 -37.8 86.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.115 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.7 mt -67.63 -38.55 84.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.5 mt-10 -58.02 -38.58 76.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.703 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 43.3 mtmt -64.92 -40.06 94.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.009 175.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' HG ' ' HE1' ' A' ' 104' ' ' PHE . 57.7 tp -65.5 -54.36 29.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.78 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' OD1' ' HA ' ' A' ' 74' ' ' ALA . 80.9 m-20 -57.2 -35.52 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.688 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.32 73.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.92 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 97.4 mt -74.79 -28.12 60.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.958 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.549 ' HE1' ' HG ' ' A' ' 100' ' ' LEU . 69.7 m-85 -68.87 -28.8 67.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.79 0.329 . . . . 0.0 110.666 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -87.19 -38.83 16.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.925 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.91 85.69 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.371 0.605 . . . . 0.0 110.362 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' HG21 ' A' ' 3' ' ' THR . 7.6 p-10 -89.16 18.53 4.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.651 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.08 98.55 8.71 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.254 -175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.1 m -69.57 97.04 0.98 Allowed 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.8 tp -83.62 115.3 22.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.163 0.506 . . . . 0.0 111.317 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.69 165.03 23.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.775 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.415 ' C ' ' H ' ' A' ' 114' ' ' HIS . 44.3 m170 -79.8 -31.8 40.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.832 0.348 . . . . 0.0 110.101 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 71.6 -18.28 0.3 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.713 0.805 . . . . 0.0 112.198 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 112' ' ' HIS . 96.2 m-70 -82.79 119.86 24.89 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 172.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -72.26 126.62 30.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.115 0.483 . . . . 0.0 110.979 -175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -69.7 -42.92 73.45 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.921 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.872 0 O-C-N 124.454 1.096 . . . . 0.0 109.137 174.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 63.1 mtt . . . . . 0 N--CA 1.483 1.179 0 CA-C-O 120.531 0.205 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -54.94 -41.21 70.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.084 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 7' ' ' VAL . 68.7 m -59.56 -30.4 68.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 1' ' ' MET . 32.5 m170 -55.24 -43.52 74.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 120.854 0.359 . . . . 0.0 111.259 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.1 t70 -68.14 -34.64 76.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.342 -178.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -73.44 -35.84 65.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 3' ' ' THR . 90.1 t -61.73 -40.05 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.132 0.492 . . . . 0.0 110.08 175.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.158 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 78.3 mt -66.36 -38.25 87.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.598 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 22.1 tm0? -60.51 -45.47 93.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.857 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.6 mt -56.07 -44.43 78.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.192 0.52 . . . . 0.0 110.851 177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.2 -30.51 66.47 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.003 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 -39.77 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.067 0.46 . . . . 0.0 110.487 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.1 tp -63.57 -39.13 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.122 176.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.15 -44.63 79.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.364 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.54 -40.93 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.0 -46.82 88.23 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.076 0.465 . . . . 0.0 110.152 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.14 -39.45 89.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 110.062 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.49 -40.08 74.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.019 -0.992 . . . . 0.0 111.161 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.7 mt-10 -61.27 -41.85 97.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 0.0 111.07 177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -100.26 23.34 10.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.33 -172.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 61.35 23.43 13.67 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.544 173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.67 19.49 7.39 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.806 0.336 . . . . 0.0 111.248 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -95.76 8.78 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 122.104 0.954 . . . . 0.0 108.539 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 -110.23 117.17 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.729 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.609 HD21 ' HB2' ' A' ' 53' ' ' TRP . 7.3 m120 -99.38 128.34 45.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.43 103.7 6.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.037 0.446 . . . . 0.0 110.792 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' HB3' HE21 ' A' ' 30' ' ' GLN . 29.3 mt-10 62.0 75.27 0.44 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.686 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HG3' ' HB2' ' A' ' 26' ' ' ASN . 13.0 Cg_exo -69.68 92.31 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.594 2.196 . . . . 0.0 111.141 175.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.488 HE21 ' HB3' ' A' ' 28' ' ' GLU . 72.1 mt-30 -106.66 148.38 36.72 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.551 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.04 -21.02 71.63 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 121.938 1.758 . . . . 0.0 109.951 169.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -63.76 -21.98 66.68 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.983 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.0 -40.54 98.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.959 0.409 . . . . 0.0 110.192 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.404 ' HZ ' ' HE1' ' A' ' 53' ' ' TRP . 85.1 m-85 -84.27 -3.37 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.321 -174.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -69.63 -34.42 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 t -79.81 105.07 10.83 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -80.79 21.79 0.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.405 0.622 . . . . 0.0 111.37 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -66.08 149.92 97.24 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.64 -19.76 61.89 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.088 2.525 . . . . 0.0 113.504 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.18 13.51 3.88 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 50.8 45.72 26.92 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.415 0.626 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.1 mtt -65.88 -36.94 84.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.888 -168.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -85.91 -38.64 17.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.637 0.256 . . . . 0.0 111.451 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -50.09 70.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.496 -177.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.7 mtp -148.29 -168.92 3.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 6.4 mp0 -63.37 138.47 97.36 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 31.9 Cg_exo -60.12 -8.6 8.48 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.768 2.312 . . . . 0.0 112.275 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 52.9 mt -70.35 -24.63 63.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.322 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.16 -5.09 33.1 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.749 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.679 ' CH2' HD13 ' A' ' 55' ' ' LEU . 85.4 t90 -91.65 -43.91 9.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.967 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 55' ' ' LEU . 66.2 tp -57.71 -53.63 55.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.119 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 48' ' ' LEU . 12.7 pt20 -84.58 154.6 22.52 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.609 ' HB2' HD21 ' A' ' 26' ' ' ASN . 71.5 t-105 72.71 -53.28 0.7 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.4 t -90.61 -64.76 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.679 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.8 tp -53.61 -44.49 69.52 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -169.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.67 HG23 ' HB3' ' A' ' 11' ' ' LEU . 53.8 mt -57.71 -63.94 3.25 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -174.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.542 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 35.5 Cg_endo -65.71 -24.4 54.99 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.863 1.708 . . . . 0.0 112.396 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -66.03 -45.09 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.1 mmt -73.27 -24.49 60.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -58.19 -39.27 78.51 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 109.936 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.58 -40.75 84.84 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.19 -46.24 91.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.332 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 59' ' ' MET . 79.0 mt -63.73 -31.39 72.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.355 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -63.47 -28.23 69.82 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.106 0.479 . . . . 0.0 110.647 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -92.31 3.24 55.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.57 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 64.3 -82.87 0.03 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.55 -172.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 66.65 142.09 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.369 0 O-C-N 123.894 0.746 . . . . 0.0 112.628 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.65 -1.83 9.05 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.727 2.284 . . . . 0.0 111.97 175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.9 mt 71.64 139.02 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.006 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -67.5 105.81 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.347 2.031 . . . . 0.0 110.959 173.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.82 -12.55 57.28 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.774 -0.648 . . . . 0.0 113.856 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.29 33.89 5.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.329 0.565 . . . . 0.0 111.701 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -82.36 119.9 24.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 174.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -150.61 102.42 3.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.866 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -98.75 -25.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.704 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.55 -54.4 49.22 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' OE1' ' A' ' 80' ' ' GLU . 17.4 Cg_endo -57.72 -31.0 90.95 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 122.209 1.939 . . . . 0.0 112.431 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -75.34 -41.67 56.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 38.6 m-85 -73.16 -11.96 60.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.517 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.477 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 46.3 mt-10 -70.65 -17.24 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.417 . . . . 0.0 109.951 170.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.4 mtm -103.77 -38.78 6.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.088 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.24 -31.98 71.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.746 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 90' ' ' ARG . 56.7 mt -104.9 150.57 24.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.818 173.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.4 157.58 33.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.746 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.4 p -64.51 -19.28 65.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.912 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -84.26 -162.98 0.72 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.351 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.3 t60 64.36 83.03 0.2 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.89 -25.87 45.78 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.477 2.785 . . . . 0.0 113.184 -175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.73 -19.88 62.9 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.813 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 30.0 ttp180 -63.33 -31.73 72.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.84 84.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.954 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.28 -40.55 97.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.106 0.479 . . . . 0.0 110.243 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.54 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 61.7 mt -69.73 -46.63 74.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.256 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 83.7 mt -59.01 -51.26 70.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -36.94 73.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.955 0.407 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 12.6 tp10 -67.66 -40.67 84.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.132 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 81.0 mt -68.52 -44.13 75.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 86.6 mt-10 -57.87 -29.1 64.74 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.023 0.44 . . . . 0.0 110.237 177.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 33.8 ttmt -69.24 -47.78 63.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.946 176.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' OE1' ' A' ' 10' ' ' GLN . 58.9 tp -65.0 -46.79 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 78.6 m-20 -56.28 -41.43 75.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.235 0.54 . . . . 0.0 110.531 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.17 -21.84 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.461 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 83.9 mt -74.6 -31.56 62.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.236 177.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -74.78 -17.96 60.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.162 0.506 . . . . 0.0 110.75 176.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -99.45 12.8 35.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.001 174.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -132.04 117.81 18.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.01 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 108' ' ' ALA . 11.4 t70 -169.04 -167.14 0.7 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.442 ' H ' ' CG ' ' A' ' 107' ' ' ASP . . . -77.37 142.44 39.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.761 0.315 . . . . 0.0 110.858 -177.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -101.09 133.7 45.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.413 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 55.1 tp -79.42 137.52 37.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.03 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.11 149.2 28.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -128.96 121.98 29.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -71.97 -64.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -113.59 124.82 53.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -73.64 -18.11 61.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.72 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -87.78 84.34 7.05 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 53.1 t60 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.827 -176.647 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.536 0.207 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -71.32 130.51 41.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 111.279 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 7' ' ' VAL . 33.2 m -95.64 -32.88 12.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.248 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.462 ' HA ' HD22 ' A' ' 63' ' ' LEU . 29.8 m80 -51.23 -51.02 57.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.3 m-20 -58.43 -42.25 86.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -63.79 -42.29 97.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.769 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.657 HG13 HD11 ' A' ' 100' ' ' LEU . 50.5 t -65.06 -39.78 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.338 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.1 ttt85 -58.76 -43.86 90.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.745 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 93.4 mt -61.45 -38.88 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.05 0.453 . . . . 0.0 110.643 178.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 15.1 mm100 -72.16 -32.6 67.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' HB3' ' A' ' 59' ' ' MET . 66.8 mt -61.37 -43.38 98.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.91 -25.99 68.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.493 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 10' ' ' GLN . . . -67.98 -53.34 26.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.423 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.27 -43.66 96.01 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -51.15 -54.61 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.751 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -67.35 -43.0 82.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.295 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.43 -42.97 93.1 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.007 0.432 . . . . 0.0 110.68 -178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.81 -34.67 78.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.602 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 19' ' ' ARG . 39.3 ttp85 -68.94 -38.41 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 45.4 mt-10 -62.32 -44.98 95.24 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.592 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -86.41 15.66 5.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.394 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 55.97 32.37 19.72 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -99.92 -0.37 39.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.156 0.503 . . . . 0.0 109.659 171.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.43 ' HE3' HE22 ' A' ' 52' ' ' GLN . 70.5 t-105 -76.96 101.93 6.19 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . 18.8 mtp180 -87.44 123.3 32.22 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.011 -169.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -84.2 61.02 6.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.508 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' HB3' ' A' ' 25' ' ' ARG . 45.1 m-20 -117.23 -176.31 2.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.158 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 48.3 mt-10 -110.52 111.31 57.35 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.9 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 17.4 Cg_exo -67.2 140.55 54.03 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.956 2.438 . . . . 0.0 112.503 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' NE2' ' HD2' ' A' ' 31' ' ' PRO . 13.9 mm100 -128.18 137.68 31.37 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' NE2' ' A' ' 30' ' ' GLN . 18.8 Cg_endo -59.62 -13.27 20.73 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.395 2.73 . . . . 0.0 113.333 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.515 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 78.9 t60 -57.95 -23.35 53.3 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' ' 44' ' ' THR . 47.8 tt0 -58.7 -33.94 70.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.19 0.519 . . . . 0.0 110.7 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.403 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 87.5 m-85 -80.61 -3.71 51.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.347 -176.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 14.5 m120 -80.61 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.822 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.1 m -63.05 -38.9 93.04 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 171.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' THR . 16.3 m 63.41 16.68 9.74 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.031 0.92 . . . . 0.0 111.317 174.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -112.58 150.74 43.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.81 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.48 134.72 63.05 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.366 2.044 . . . . 0.0 111.167 175.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 72.72 -7.66 1.39 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.227 0.611 . . . . 0.0 111.804 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' CE1' ' HA ' ' A' ' 34' ' ' PHE . 69.2 m-85 50.7 52.83 14.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.393 0.616 . . . . 0.0 110.425 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.9 mtt -63.87 -11.29 26.3 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.447 -169.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -89.53 -45.48 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.789 0.328 . . . . 0.0 111.492 -174.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 33' ' ' GLN . 1.5 p -83.07 -62.92 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -176.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.1 mtp -118.93 117.33 28.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 38.4 mt-10 -57.24 156.79 13.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.584 -174.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 46' ' ' GLU . 42.6 Cg_exo -33.71 -51.01 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.716 3.611 . . . . 0.0 115.598 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 83' ' ' LEU . 29.2 tp -72.57 -23.52 60.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.956 0.408 . . . . 0.0 111.409 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -86.49 -17.3 34.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.331 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 55' ' ' LEU . 55.6 t90 -62.48 -21.18 65.27 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.888 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.59 -30.58 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.03 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.43 HE22 ' HE3' ' A' ' 24' ' ' TRP . 84.8 mm-40 -85.81 142.61 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.67 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 70.4 -50.63 0.66 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.175 0.922 . . . . 0.0 112.454 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.2 t -89.26 -80.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.976 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.572 HD13 ' CH2' ' A' ' 50' ' ' TRP . 50.4 tp -51.62 -61.99 1.91 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -165.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.624 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.5 mt -60.94 -56.05 38.77 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -174.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.0 Cg_exo -60.79 -38.44 70.58 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 121.904 1.736 . . . . 0.0 112.951 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -65.03 -44.54 88.79 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.574 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.4 mmt -66.72 -34.54 78.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.583 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -54.88 -45.85 74.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.942 0.401 . . . . 0.0 109.943 173.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -65.02 -49.54 69.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.316 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 tp -53.44 -48.46 68.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.288 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 59' ' ' MET . 53.6 mt -69.25 -48.11 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.886 -176.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.37 -26.97 65.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.293 -172.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -88.49 10.13 21.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.773 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 56.88 29.27 15.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.588 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 33.3 mm-40 -74.43 146.97 84.63 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.561 -178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 32.8 Cg_exo -61.14 135.27 57.51 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.731 2.287 . . . . 0.0 111.25 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 87.1 mt -71.43 162.06 74.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.219 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 39.0 Cg_endo -67.65 -16.17 46.11 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.984 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.5 20.6 63.75 Favored Glycine 0 C--N 1.332 0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.93 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -169.55 34.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.038 0.447 . . . . 0.0 110.857 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 104' ' ' PHE . 90.2 t80 -85.08 93.25 8.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.051 0.453 . . . . 0.0 110.609 -177.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.26 96.73 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.192 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.465 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 30.6 m -106.35 -15.55 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -55.85 -48.58 96.32 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.079 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.8 Cg_endo -55.04 -35.76 91.07 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.328 2.019 . . . . 0.0 112.75 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -69.72 -50.9 39.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.527 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 50.6 m-85 -61.49 -29.61 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.437 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.29 -25.7 68.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -106.42 -34.0 7.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.377 . . . . 0.0 111.118 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.46 56.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.835 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 48' ' ' LEU . 86.8 mt -93.03 123.39 36.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 110.683 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.01 155.57 38.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.748 . . . . 0.0 111.432 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.3 11.69 29.51 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.759 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -66.06 -22.38 66.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.456 0.646 . . . . 0.0 109.7 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 23.4 p-80 -128.93 100.22 21.22 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.097 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 16.4 Cg_exo -68.18 -3.68 11.23 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.814 3.009 . . . . 0.0 113.715 -170.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.22 -14.07 53.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.756 0.313 . . . . 0.0 111.238 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 48.1 ptt85 -65.12 -22.36 66.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.958 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.25 89.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.421 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.63 -38.42 80.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.22 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.0 mt -66.8 -45.52 87.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.185 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 96.0 mt -58.89 -42.51 89.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.106 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.18 -50.27 73.37 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.03 -36.32 81.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.375 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.2 mt -60.91 -40.38 92.91 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.819 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.7 mt-10 -67.73 -31.51 71.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.363 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 22.1 ttmm -64.51 -40.19 95.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.657 HD11 HG13 ' A' ' 7' ' ' VAL . 36.8 tp -71.39 -39.34 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.181 176.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 98' ' ' GLU . 4.1 t70 -53.55 -39.3 64.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.232 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.84 -24.49 64.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.537 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD12 HD12 ' A' ' 100' ' ' LEU . 96.3 mt -74.8 -34.96 62.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CG ' ' HB3' ' A' ' 73' ' ' PHE . 96.6 m-85 -87.74 11.55 15.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.114 177.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.5 3.1 14.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -113.18 -17.11 12.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.225 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.423 ' OD2' ' HB2' ' A' ' 69' ' ' LEU . 7.4 p-10 -79.93 -160.59 0.29 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.964 0.411 . . . . 0.0 111.455 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.21 85.71 7.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.104 0.478 . . . . 0.0 112.049 -171.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.1 m -79.39 135.72 36.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.013 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.46 -11.29 27.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.15 0.5 . . . . 0.0 110.603 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -80.1 -27.75 39.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.685 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -128.23 136.24 50.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -62.5 -28.7 70.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.363 0.414 . . . . 0.0 111.908 -171.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 56.89 45.33 21.63 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.139 0.495 . . . . 0.0 110.999 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.3 m80 68.57 31.58 4.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.967 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -78.51 -38.72 40.01 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 170.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.909 178.318 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HA ' ' OD2' ' A' ' 5' ' ' ASP . 11.0 tmm? . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.911 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 19.4 p -145.61 178.06 8.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.309 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.0 m -64.87 -37.08 86.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.069 0.462 . . . . 0.0 110.313 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 66' ' ' LYS . 32.0 m80 -69.33 -38.32 78.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.318 175.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.911 ' HB3' ' H ' ' A' ' 2' ' ' THR . 20.5 t70 -61.27 -38.74 87.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.24 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 2' ' ' THR . 81.7 mtt-85 -57.58 -48.23 79.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.411 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 45.5 t -67.24 -35.07 72.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.093 178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -63.75 -44.83 92.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.215 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 68.3 mt -64.0 -35.56 81.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.181 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' NE2' ' HD2' ' A' ' 99' ' ' LYS . 2.4 tp60 -66.46 -39.49 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB3' HG23 ' A' ' 56' ' ' ILE . 95.0 mt -64.15 -37.41 87.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.388 175.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -64.6 -43.6 93.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.371 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.26 90.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.753 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD21 HD11 ' A' ' 51' ' ' LEU . 41.7 tp -70.24 -41.43 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.529 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 28.6 tt0 -60.67 -44.71 96.15 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -40.75 96.41 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.376 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.0 tt -57.37 -45.5 84.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.471 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.39 -37.09 85.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 63.9 mtp180 -66.77 -51.13 59.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.769 177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.87 -38.4 82.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.386 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.594 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 72.1 m-70 -94.72 21.72 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.82 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 60.33 13.65 4.15 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -77.97 -22.03 50.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.927 0.394 . . . . 0.0 110.554 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' HA ' HE22 ' A' ' 52' ' ' GLN . 14.9 t-105 -75.35 -12.23 60.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.0 mtm105 -99.49 10.6 41.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.262 0.553 . . . . 0.0 110.248 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -122.7 88.15 2.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 172.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -150.2 133.68 16.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.702 -166.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -169.05 94.56 0.54 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.215 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.14 115.66 4.41 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.544 2.162 . . . . 0.0 111.801 175.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.668 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 78.4 mt-30 -111.03 143.99 29.46 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.016 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.04 -36.51 96.2 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.523 2.149 . . . . 0.0 112.148 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -61.67 -34.81 76.38 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 89.1 mt-30 -62.42 -51.97 65.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.349 0.595 . . . . 0.0 111.131 -175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -73.47 -9.83 59.09 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.593 -172.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -78.15 -20.89 51.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.508 0.195 . . . . 0.0 110.871 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 m -66.5 -44.18 83.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m 60.62 13.49 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.134 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 13.5 tt0 -91.08 139.93 25.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 60.7 Cg_exo -52.14 139.9 51.88 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 111.834 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' PRO . 85.2 m-85 73.2 -14.49 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.343 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 96.9 m-85 53.46 77.61 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.814 0.816 . . . . 0.0 110.132 -175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 39.4 mtt -91.54 -13.71 31.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.535 -170.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -112.83 -3.07 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 25.7 p -87.96 -79.53 0.29 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.4 mtm -130.34 -84.07 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.943 0.402 . . . . 0.0 110.408 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.5 151.98 54.67 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 36.3 Cg_exo -62.92 -8.63 14.24 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.541 2.161 . . . . 0.0 111.748 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.53 -15.16 59.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.532 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -59.82 -42.4 93.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.459 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' HD13 ' A' ' 55' ' ' LEU . 53.7 t90 -60.37 -41.46 93.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.831 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.738 HD11 HD21 ' A' ' 14' ' ' LEU . 67.7 tp -69.35 -39.31 78.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.819 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.502 HE22 ' HA ' ' A' ' 24' ' ' TRP . 58.4 tp60 -61.08 -54.58 42.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.367 -174.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -109.62 -26.88 9.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.386 -170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 41' ' ' PHE . 53.0 t -101.68 -63.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -168.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -49.24 -58.68 4.61 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -168.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.603 HG23 ' HB3' ' A' ' 11' ' ' LEU . 60.7 mt -56.18 -61.19 6.99 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.533 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.7 Cg_endo -65.49 -29.87 52.81 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 121.746 1.631 . . . . 0.0 113.108 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 58' ' ' ARG . 31.7 ttt180 -70.67 -38.35 73.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.553 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.597 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -70.63 -24.09 62.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.264 176.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.5 m-70 -61.65 -40.11 93.74 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -59.93 -52.35 65.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 tt -53.61 -47.59 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.833 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.5 mt -66.19 -50.73 62.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.754 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.11 -21.07 60.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 111.744 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -80.73 -3.54 51.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.87 0.367 . . . . 0.0 110.221 173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 62.4 mttp 60.43 31.12 20.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.574 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.21 152.54 95.65 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.635 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.7 145.03 99.58 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.611 2.208 . . . . 0.0 111.764 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.8 mt -86.13 126.89 63.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.139 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 33.0 Cg_exo -58.78 105.77 0.25 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.623 2.216 . . . . 0.0 111.834 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.76 31.91 1.94 Allowed Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.494 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -150.9 19.63 0.79 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.509 0.671 . . . . 0.0 109.662 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 71.3 t80 -87.62 115.73 25.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.783 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -146.5 104.62 3.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.073 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.3 m -93.81 -23.15 5.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -54.91 -51.76 76.56 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 16.6 Cg_endo -58.08 -27.09 78.4 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.202 1.934 . . . . 0.0 112.753 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -80.76 -49.56 10.99 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 51.4 m-85 -67.74 -17.3 64.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.79 0.328 . . . . 0.0 111.001 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -56.01 -30.06 61.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.2 mtm -105.8 -34.86 7.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.652 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -76.9 -24.55 52.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.523 -173.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' HG ' ' HG3' ' A' ' 90' ' ' ARG . 21.3 tp -103.72 127.23 51.21 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.96 127.03 24.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.085 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.71 -34.9 77.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.619 -174.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.67 -17.26 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.934 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -75.04 125.28 89.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.3 158.03 46.89 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.711 2.274 . . . . 0.0 112.762 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 90.3 mt-30 66.32 12.55 8.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.018 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' HG ' ' A' ' 83' ' ' LEU . 9.0 ttp180 -65.29 -41.71 93.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.44 -30.67 71.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.088 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.39 -43.38 70.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 110.299 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.517 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 55.2 mt -64.94 -46.79 90.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.254 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 91.7 mt -61.55 -38.95 89.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.353 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.16 90.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.91 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.171 0.51 . . . . 0.0 109.816 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.1 mt -64.24 -47.3 80.17 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.697 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 43.5 mt-10 -60.09 -29.64 68.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.129 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.552 ' HD2' ' NE2' ' A' ' 10' ' ' GLN . 25.0 ttmt -73.15 -41.4 63.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.92 177.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.98 -48.37 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.096 176.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.487 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 83.5 m-20 -57.74 -34.04 69.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.216 177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.57 -27.51 68.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.59 -32.66 53.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.867 0.365 . . . . 0.0 110.442 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 70' ' ' PRO . 76.4 m-85 -78.5 -43.13 27.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.686 176.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.52 6.13 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 0.0 110.886 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.13 -21.32 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.674 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -128.54 152.01 48.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.186 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.98 -57.35 1.33 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.1 m -94.14 114.97 27.2 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.19 12.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -169.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.64 -23.09 66.11 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 174.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -72.65 -12.64 61.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.911 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -71.88 -27.07 62.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -81.41 -45.59 15.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.239 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -123.77 117.17 24.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.366 178.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -62.09 -16.87 55.32 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.153 0.502 . . . . 0.0 111.541 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 19.4 m -57.17 -35.39 69.5 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 175.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -73.52 -34.39 65.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.863 0.363 . . . . 0.0 110.286 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.6 m-20 -59.91 -42.9 94.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.882 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 6' ' ' ARG . 74.3 mtt85 -72.99 -28.53 62.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.244 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 3' ' ' THR . 70.6 t -67.86 -40.55 83.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.261 173.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 97.9 mt -59.27 -34.33 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.017 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -73.92 -37.59 64.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.868 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.611 ' HB3' HG23 ' A' ' 56' ' ' ILE . 85.1 mt -60.46 -37.53 81.31 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.06 -33.48 70.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.84 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.3 76.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.053 0.454 . . . . 0.0 110.367 176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 51' ' ' LEU . 60.7 tp -61.13 -44.95 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.11 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 44.8 tt0 -59.33 -44.66 92.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.355 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -61.03 -40.59 94.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.941 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.73 -40.29 91.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.78 -29.07 66.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.856 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 40.1 mtp-105 -74.05 -44.29 54.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.93 177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 16.8 mm-40 -67.74 -35.65 79.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -86.84 -0.32 56.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.764 177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 52.0 69.34 0.68 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.057 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -134.9 13.22 3.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.646 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -88.06 72.59 9.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.489 0.662 . . . . 0.0 109.687 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 25' ' ' ARG . 48.1 mtt180 -138.84 95.05 2.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.357 176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -63.27 114.38 3.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -78.06 67.41 3.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 111.227 -176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' HG3' HE22 ' A' ' 30' ' ' GLN . 0.6 OUTLIER 55.89 82.67 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.164 175.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.67 99.31 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.7 2.267 . . . . 0.0 111.135 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.511 ' HG3' ' HD2' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -100.37 140.34 21.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.951 -173.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' HD2' ' HG3' ' A' ' 30' ' ' GLN . 85.5 Cg_exo -48.84 -33.08 24.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.93 3.087 . . . . 0.0 114.56 -175.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -57.59 -23.37 50.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.729 0.299 . . . . 0.0 110.776 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HA ' HG21 ' A' ' 44' ' ' THR . 56.9 tt0 -65.58 -61.21 2.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.129 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -71.28 -29.58 65.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.5 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.61 -37.46 79.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.355 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.8 m -59.63 -38.44 81.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 37' ' ' THR . 49.7 m 63.61 17.74 10.61 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-O 121.881 0.848 . . . . 0.0 111.327 172.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.22 140.54 97.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.184 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.563 ' O ' ' HG3' ' A' ' 42' ' ' MET . 18.7 Cg_endo -58.11 121.75 10.54 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 174.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 97.9 m-85 68.59 1.55 3.04 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.455 0.472 . . . . 0.0 111.298 -176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 55.54 35.03 24.32 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.071 0.548 . . . . 0.0 111.382 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 20.1 mtt -54.71 -52.54 62.11 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.105 -176.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -87.62 30.82 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.677 -175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.545 HG21 ' HA ' ' A' ' 33' ' ' GLN . 8.2 m -144.22 -49.12 0.28 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.009 0.433 . . . . 0.0 111.505 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mmm -131.99 -179.99 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.839 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 6.4 mp0 -71.31 144.81 89.92 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 172.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.19 -28.21 69.76 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.514 2.142 . . . . 0.0 112.107 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -72.06 -28.05 63.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.871 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.839 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 4.6 mm-40 -70.59 -22.91 62.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.365 0.602 . . . . 0.0 110.613 -176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 88.1 t90 -72.77 -41.27 65.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.47 174.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 14' ' ' LEU . 31.2 tp -68.34 -31.65 71.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.78 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.67 -75.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.471 -1.24 . . . . 0.0 112.401 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -122.58 6.37 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.931 -172.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 40.3 t -98.12 -62.18 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 119.5 -0.88 . . . . 0.0 111.063 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 59.6 tp -52.72 -62.39 1.68 Allowed 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' HB3' ' A' ' 11' ' ' LEU . 70.3 mt -54.95 -54.46 49.71 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -173.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.8 Cg_exo -66.72 -36.04 26.03 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.773 1.648 . . . . 0.0 112.933 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -68.1 -47.59 67.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.666 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.427 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 92.8 mmm -70.31 -21.11 62.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.324 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.2 95.81 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.054 175.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.76 -40.02 78.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 0.0 109.983 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 67' ' ' GLN . 29.1 tp -63.41 -50.97 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.869 177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 7' ' ' VAL . 78.4 mt -72.88 -39.56 66.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.917 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -32.16 73.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -87.88 0.41 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.721 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 63.33 31.58 15.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.384 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.5 mt-30 -77.87 150.65 78.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.92 150.23 73.56 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.652 2.235 . . . . 0.0 111.858 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 107' ' ' ASP . 90.3 mt -79.64 153.44 75.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.825 0.345 . . . . 0.0 110.691 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 1.9 Cg_endo -78.58 109.12 2.57 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.294 1.996 . . . . 0.0 110.442 173.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 115' ' ' HIS . . . -76.8 18.88 3.58 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.776 -172.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.14 18.75 2.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.483 0.659 . . . . 0.0 109.633 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 37.1 t80 -92.12 85.22 5.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.964 -178.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.34 131.81 50.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.6 m -120.33 -31.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.705 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -65.7 -49.43 60.36 Favored Pre-proline 0 CA--C 1.535 0.39 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.515 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 31.3 Cg_exo -60.88 -25.41 81.27 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 121.75 1.633 . . . . 0.0 112.014 175.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -75.83 -48.94 19.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.412 ' OH ' ' HB2' ' A' ' 51' ' ' LEU . 37.3 m-85 -70.51 -11.5 60.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 0.0 111.295 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 90' ' ' ARG . 10.1 tp10 -65.67 -20.91 66.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.283 0.564 . . . . 0.0 109.944 172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.6 mtm -110.88 -49.25 3.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.695 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.46 94.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.212 -174.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.1 tp -90.12 131.85 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.278 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.35 136.15 37.79 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.769 0.668 . . . . 0.0 111.143 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 p -73.25 -11.86 60.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.026 0.751 . . . . 0.0 113.026 -173.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -92.82 169.0 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.6 t60 75.9 107.93 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 123.557 0.743 . . . . 0.0 110.155 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.28 -25.29 64.3 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.971 3.114 . . . . 0.0 114.152 -168.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.01 -12.72 53.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 111.291 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 80' ' ' GLU . 36.6 ttt-85 -57.01 -40.47 76.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.735 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.46 87.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.15 -43.43 98.86 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.088 0.47 . . . . 0.0 110.319 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 48.3 mt -66.93 -45.63 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.046 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 97' ' ' LEU . 93.7 mt -59.93 -38.54 82.69 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.56 -44.65 93.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.995 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -72.71 -32.97 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.54 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 74.8 mt -63.04 -44.22 96.49 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.521 176.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 42.2 mt-10 -63.83 -35.26 80.03 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.185 0.303 . . . . 0.0 111.294 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.715 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 54.5 mttp -53.9 -54.31 40.45 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.096 0.474 . . . . 0.0 110.001 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 48.3 tp -66.59 -42.04 87.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.706 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.42 -40.21 81.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.572 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.67 -25.78 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.145 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 82.8 mt -69.52 -34.5 74.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.453 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 62.8 m-85 -71.67 -17.43 62.24 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 110.424 176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.24 -3.8 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.036 175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -90.68 -33.88 15.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.675 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.516 ' HB2' HD12 ' A' ' 69' ' ' LEU . 44.6 t0 -78.39 164.65 24.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.934 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.86 142.5 27.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.983 0.42 . . . . 0.0 110.826 -177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.7 m -141.13 -171.41 3.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.29 160.6 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -63.71 -32.1 73.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.062 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -74.15 -3.63 30.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.719 -174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -132.57 107.23 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.984 0.421 . . . . 0.0 110.627 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -84.01 152.37 24.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.655 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.501 ' HA ' ' O ' ' A' ' 71' ' ' GLY . 44.0 m-70 -87.93 2.28 52.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.015 0.436 . . . . 0.0 111.151 -170.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -145.54 165.51 28.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.737 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.197 -0.906 . . . . 0.0 108.647 179.023 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -68.28 162.85 24.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 7' ' ' VAL . 30.9 m -59.43 -37.43 78.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.465 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -50.83 -47.46 60.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.944 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 6.0 t70 -65.15 -37.82 88.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 6' ' ' ARG . 49.8 mtm180 -71.91 -32.7 67.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.152 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 103' ' ' LEU . 59.3 t -66.43 -37.96 80.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.601 0.715 . . . . 0.0 109.425 173.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 49.2 ttt-85 -60.45 -42.49 96.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.666 175.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.9 mt -64.66 -37.2 86.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.152 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.15 -40.46 96.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.755 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.713 ' HB3' HG23 ' A' ' 56' ' ' ILE . 87.9 mt -60.65 -39.78 89.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.029 0.442 . . . . 0.0 110.523 176.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.61 -34.36 78.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.5 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.95 -40.66 78.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.0 mt -59.89 -40.45 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -59.82 -44.56 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.502 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.75 74.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.71 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 7.3 tp -68.1 -42.28 80.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 85.4 mt -71.16 -10.09 59.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.891 178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -75.41 -39.32 59.13 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 171.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.66 -56.46 6.4 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.667 0.746 . . . . 0.0 110.389 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.671 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 52.2 m-70 -95.38 15.72 18.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.506 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 85.5 mt-30 56.22 -147.93 0.51 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.847 175.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 72.2 m-70 76.91 -40.32 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.576 0.75 . . . . 0.0 110.026 -169.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 32.3 t-105 -73.93 66.89 1.2 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 170.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -125.82 91.57 3.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.282 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -81.98 11.78 4.77 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.056 0.455 . . . . 0.0 110.22 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.9 -38.38 70.13 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.837 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -134.42 115.07 12.57 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.0 151.34 67.65 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.513 2.142 . . . . 0.0 111.248 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -125.75 72.53 68.77 Favored Pre-proline 0 N--CA 1.45 -0.471 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 -37.44 97.17 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.261 1.974 . . . . 0.0 111.337 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -61.55 -27.34 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.528 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.501 ' NE2' ' HB3' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -77.84 -46.96 19.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 110.337 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -74.24 -4.84 38.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.993 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -77.0 -19.96 56.63 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.773 0.32 . . . . 0.0 110.465 175.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' OG ' ' HG2' ' A' ' 38' ' ' GLN . 12.3 t -73.26 110.31 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -88.57 13.19 12.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.204 0.526 . . . . 0.0 111.108 -172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' HG2' ' OG ' ' A' ' 36' ' ' SER . 20.8 pt20 -93.25 156.54 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.848 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.73 139.93 71.66 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.543 2.162 . . . . 0.0 112.32 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 50' ' ' TRP . 96.9 m-85 71.17 -3.58 2.02 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.61 0.764 . . . . 0.0 112.843 173.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 54.82 39.13 31.27 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.287 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.3 mtt -50.89 -38.97 52.88 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.571 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.62 24.08 7.9 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.2 p -100.77 -60.46 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.401 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.607 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 53.4 ttp -157.16 -69.97 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.183 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' HG3' ' HG2' ' A' ' 45' ' ' MET . 34.4 mt-10 -136.49 148.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.197 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HG2' ' HB1' ' A' ' 82' ' ' ALA . 23.4 Cg_exo -65.44 -14.88 47.19 Favored 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 122.936 2.424 . . . . 0.0 112.847 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.2 mt -74.57 -14.37 60.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.582 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 9.8 mm-40 -72.66 -13.96 61.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 111.118 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.676 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 53.5 t90 -74.59 -31.15 61.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.472 0.653 . . . . 0.0 109.776 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.6 mt -77.86 -22.47 49.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.017 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 58.1 tt0 -54.92 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.41 -173.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -132.67 9.33 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.412 -172.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 48.0 t -106.99 -70.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.777 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' ' HB2' ' A' ' 59' ' ' MET . 57.4 tp -50.52 -59.27 4.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -171.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 11' ' ' LEU . 58.6 mt -60.26 -55.86 41.12 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.613 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 20.3 Cg_exo -67.19 -42.27 8.06 Favored 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 121.776 1.651 . . . . 0.0 113.149 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -74.21 -31.6 62.69 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 -173.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.606 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -71.39 -17.17 62.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.954 -0.299 . . . . 0.0 110.732 178.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 19.2 m-70 -66.02 -37.06 84.93 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.23 -34.46 76.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.238 0.542 . . . . 0.0 110.097 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 67' ' ' GLN . 44.1 tp -74.34 -45.56 46.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.667 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.08 -52.12 9.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.276 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -21.96 66.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.661 -174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -94.38 10.98 32.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 61.92 27.58 16.76 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.777 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HB2' HD12 ' A' ' 62' ' ' LEU . 32.1 mm-40 -77.89 144.73 68.82 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 120.614 0.245 . . . . 0.0 110.785 -177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 36.2 Cg_exo -57.06 131.91 48.28 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.812 2.341 . . . . 0.0 112.209 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 107' ' ' ASP . 54.5 mt -78.88 133.31 62.04 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.388 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.55 108.55 1.05 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.544 2.163 . . . . 0.0 111.19 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.33 47.57 2.68 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.781 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.0 22.12 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.084 0.469 . . . . 0.0 110.037 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -90.21 119.4 30.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.914 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -143.76 118.27 9.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.409 HG23 HD22 ' A' ' 97' ' ' LEU . 20.8 m -109.98 -19.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.67 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.56 -51.28 82.89 Favored Pre-proline 0 CA--C 1.535 0.375 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 17.5 Cg_endo -57.93 -27.67 79.84 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.229 1.952 . . . . 0.0 112.513 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.81 -52.71 13.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.469 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 79.7 m-85 -74.02 -19.01 60.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.461 -176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.71 -25.93 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.659 0.742 . . . . 0.0 109.16 173.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.6 ttp -99.33 -41.05 7.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.918 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.13 -41.38 86.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.976 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.2 mt -86.66 127.36 34.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.08 137.98 58.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.684 -176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -30.02 67.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.129 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.63 11.79 3.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.5 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.475 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 25.1 t60 -116.01 90.04 26.84 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.58 -14.01 23.96 Favored 'Trans proline' 0 N--CA 1.479 0.671 0 C-N-CA 123.949 3.099 . . . . 0.0 114.268 -171.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 92.3 mt-30 -69.34 -17.26 63.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.397 -0.189 . . . . 0.0 111.143 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -69.75 -23.02 63.32 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.927 -174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.55 76.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.938 0.399 . . . . 0.0 111.028 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.72 -36.71 83.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -67.57 -51.11 54.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 HD23 HD12 ' A' ' 97' ' ' LEU . 95.0 mt -59.45 -36.24 75.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 99' ' ' LYS . . . -58.12 -50.29 73.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.691 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -71.92 -25.92 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.267 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.1 mt -69.69 -53.26 19.39 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.326 -0.15 . . . . 0.0 110.767 178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -59.27 -30.35 68.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.252 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 95' ' ' ALA . 17.7 tttm -68.82 -28.83 67.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.575 -1.193 . . . . 0.0 110.294 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.6 -45.45 8.9 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.411 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 82.4 m-20 -54.48 -37.67 65.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.51 68.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.347 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.6 mt -76.33 -34.23 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.012 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -66.12 -23.57 66.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 111.537 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.27 -1.04 45.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.45 . . . . 0.0 110.467 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.61 -34.87 14.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.064 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.506 ' HB2' HD12 ' A' ' 69' ' ' LEU . 7.8 t70 -75.88 168.3 20.28 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.96 112.0 23.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 0.0 111.85 -171.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.8 p -125.6 109.64 12.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.914 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.9 mp -70.18 150.86 46.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.001 0.429 . . . . 0.0 111.251 -176.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.476 ' HG3' ' H ' ' A' ' 113' ' ' HIS . 10.6 pt-20 -65.7 -30.18 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.708 -177.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.4 m80 62.19 26.09 15.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.047 0.451 . . . . 0.0 111.237 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.476 ' H ' ' HG3' ' A' ' 111' ' ' GLU . 70.4 t60 -66.11 -33.95 76.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 126.65 37.52 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -105.39 142.88 34.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.187 0.518 . . . . 0.0 112.362 -171.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 m80 -149.73 119.15 6.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.986 170.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.261 -177.122 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 N--CA 1.477 0.885 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.07 177.55 4.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.547 HG21 ' HB2' ' A' ' 107' ' ' ASP . 11.5 m -51.0 -55.31 18.02 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -172.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -61.97 -34.79 76.8 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.041 0.448 . . . . 0.0 110.674 -175.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 8' ' ' ARG . 3.7 m-20 -70.11 -34.17 72.77 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.494 -177.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -68.72 -38.27 80.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.242 175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 103' ' ' LEU . 14.9 t -67.03 -37.26 79.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OE1' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -52.91 -48.9 66.89 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.879 174.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.59 -40.5 95.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.7 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' HD11 ' A' ' 103' ' ' LEU . 15.6 mm100 -69.33 -37.89 77.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.753 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 59' ' ' MET . 20.8 mt -62.56 -37.83 87.69 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.766 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.532 ' OE1' ' HD2' ' A' ' 8' ' ' ARG . 23.8 mt-30 -70.37 -34.1 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.93 0.395 . . . . 0.0 110.295 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.0 -42.51 72.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.633 176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 51' ' ' LEU . 58.0 tp -65.19 -40.63 94.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.342 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 -41.93 93.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.979 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -67.02 -36.29 81.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.183 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -56.79 -41.35 77.55 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.353 0.597 . . . . 0.0 110.062 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.814 HD13 HE21 ' A' ' 52' ' ' GLN . 77.5 mt -78.26 -24.19 46.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.906 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttt-85 -75.52 -51.49 12.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.761 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 27.9 mm-40 -66.87 -36.37 82.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.127 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -85.77 0.81 51.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.849 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 50.59 55.12 9.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.927 175.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -129.73 27.54 5.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.063 0.459 . . . . 0.0 110.756 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.549 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 23.3 t-105 -87.39 113.59 23.24 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -93.34 149.58 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.115 0.484 . . . . 0.0 110.614 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -146.97 106.34 3.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.107 173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -88.78 -5.11 58.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.536 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 60.06 71.57 0.87 Allowed Pre-proline 0 C--O 1.233 0.212 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -167.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.27 131.74 46.77 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.346 2.697 . . . . 0.0 113.667 -170.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.81 150.58 59.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.461 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.19 -27.13 36.3 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.894 2.396 . . . . 0.0 112.008 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -50.82 -39.1 52.24 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.363 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.542 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 89.9 mt-30 -76.13 -16.5 59.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -102.08 -36.71 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 0.0 110.69 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.85 -9.3 58.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.398 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 p -65.58 -41.15 93.2 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 170.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.9 m 59.64 90.05 0.06 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.852 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -152.16 147.71 20.15 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.31 120.67 8.39 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.194 1.929 . . . . 0.0 111.105 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.673 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 18.5 m-85 66.48 3.08 2.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.437 0.695 . . . . 0.0 111.169 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 51.94 47.42 24.81 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.821 0.449 . . . . 0.0 110.697 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.673 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 76.1 mtm -72.87 35.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -171.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.94 -46.67 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.216 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.542 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 2.3 p -86.85 -42.77 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.114 177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.3 mtp -112.22 -177.2 3.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.637 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 60.0 mm-40 -111.34 155.26 43.07 Favored Pre-proline 0 C--N 1.321 -0.666 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.18 -25.38 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.084 2.522 . . . . 0.0 113.909 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.62 -50.15 13.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.983 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' OE1' ' HB2' ' A' ' 46' ' ' GLU . 1.6 pm0 -78.8 11.64 2.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.635 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CZ2' HD23 ' A' ' 55' ' ' LEU . 38.0 t90 -74.9 -35.26 62.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 169.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.562 HD21 HD21 ' A' ' 14' ' ' LEU . 45.8 tp -68.33 -35.45 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.816 178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.814 HE21 HD13 ' A' ' 18' ' ' LEU . 60.8 mt-30 -90.22 148.63 22.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.641 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 49.7 t-105 70.81 -47.88 0.65 Allowed 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.608 0.567 . . . . 0.0 111.964 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 -72.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD23 ' CZ2' ' A' ' 50' ' ' TRP . 2.1 tm? -50.49 -66.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -169.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.8 mt -54.17 -51.88 73.63 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -171.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.581 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.3 Cg_exo -61.01 -43.25 31.25 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 122.111 1.874 . . . . 0.0 112.68 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -64.38 -39.0 93.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.03 -15.41 62.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.028 -179.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 8.4 m-70 -68.07 -38.33 82.29 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.42 -34.12 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.245 0.545 . . . . 0.0 110.267 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 67' ' ' GLN . 28.6 tp -73.02 -34.5 66.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 59' ' ' MET . 88.0 mt -92.03 -53.35 4.29 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -63.08 -39.44 94.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.159 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -82.05 -3.86 55.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.047 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm 52.92 71.18 0.5 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.779 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.634 ' HB2' HD12 ' A' ' 62' ' ' LEU . 24.5 mm-40 -101.53 159.7 28.67 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.277 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.76 119.53 6.83 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.254 1.97 . . . . 0.0 111.592 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 42.5 mt -69.8 140.26 88.95 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.426 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.441 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 73.6 Cg_exo -50.21 -37.57 49.39 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 123.182 2.588 . . . . 0.0 112.893 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.3 4.99 80.3 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.526 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -166.59 88.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.451 ' CZ ' HD21 ' A' ' 55' ' ' LEU . 42.5 t80 -118.41 28.81 8.12 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.789 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.9 76.28 0.89 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.999 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.94 5.75 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.48 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -61.86 -44.55 90.79 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.298 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 72.9 Cg_exo -51.62 -45.26 38.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 121.9 1.733 . . . . 0.0 112.321 173.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -66.83 -42.04 86.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.467 . . . . 0.0 110.443 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -66.3 -26.26 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.539 -178.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.53 -41.31 80.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.233 0.54 . . . . 0.0 109.748 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.2 mtm -76.63 -43.82 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.2 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -60.67 -42.15 96.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.835 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 90' ' ' ARG . 72.3 mt -81.11 -14.18 57.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.304 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . 60.7 -175.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.585 0.553 . . . . 0.0 111.467 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.8 p -96.85 -11.29 25.02 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.4 0.619 . . . . 0.0 110.866 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.1 -13.31 62.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.287 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -120.87 82.89 36.02 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.731 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.21 -24.84 52.51 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.518 2.812 . . . . 0.0 113.608 -177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.51 5.44 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 122.362 -0.211 . . . . 0.0 111.296 178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 36.7 ptt180 -61.2 -29.8 70.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.731 0.301 . . . . 0.0 110.722 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.14 -29.24 68.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.39 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.08 -44.5 84.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.081 0.467 . . . . 0.0 110.373 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.95 -39.91 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.17 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.46 -45.35 94.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.955 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.64 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.16 -41.04 97.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.455 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.98 -36.7 84.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.78 -40.05 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.979 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 3.2 mptm? -59.14 -43.58 92.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.149 0.499 . . . . 0.0 109.869 173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.777 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 15.0 tp -59.79 -51.25 70.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.256 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -58.52 -41.21 84.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.537 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.29 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 0.0 111.177 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.3 mt -79.52 -35.85 39.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.777 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 68.0 m-85 -64.54 -31.38 72.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 110.426 176.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.82 -8.24 56.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.36 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 3' ' ' THR . 38.1 t70 -84.42 -21.83 30.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.519 . . . . 0.0 110.211 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.684 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 20.8 t70 -102.49 26.12 8.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.778 0.799 . . . . 0.0 109.301 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.65 159.33 33.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.094 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.919 ' HA ' ' HA ' ' A' ' 117' ' ' HIS . 14.6 m -80.4 42.18 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.265 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.9 mt -122.72 2.77 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -107.31 -60.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.957 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -78.97 101.21 7.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.564 0.221 . . . . 0.0 110.782 -171.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -85.89 -10.04 55.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.889 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -82.13 -7.96 59.64 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -128.13 -159.88 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.196 -1.365 . . . . 0.0 107.887 171.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -130.3 50.39 2.2 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.526 0.679 . . . . 0.0 109.321 167.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.919 ' HA ' ' HA ' ' A' ' 109' ' ' SER . 57.6 t60 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.194 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.642 ' H ' ' HB3' ' A' ' 5' ' ' ASP . 56.5 p -146.79 179.93 7.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.639 ' HB ' ' OD2' ' A' ' 107' ' ' ASP . 38.4 m -61.34 -40.72 95.27 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 170.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -54.19 -46.62 72.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.087 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.642 ' HB3' ' H ' ' A' ' 2' ' ' THR . 14.3 t70 -60.17 -42.63 95.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.906 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -66.85 -30.67 70.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.442 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.643 HG22 ' HB3' ' A' ' 103' ' ' LEU . 45.6 t -67.76 -36.97 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.347 0.594 . . . . 0.0 109.459 174.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 43.5 ttt180 -62.43 -43.92 97.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.618 175.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 70.1 mt -64.36 -34.72 78.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.371 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -65.24 -38.23 89.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.708 177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 97.6 mt -60.22 -41.88 94.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.15 0.5 . . . . 0.0 110.154 175.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.61 -39.37 84.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.636 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.27 -41.87 84.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.947 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.06 -40.08 96.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.057 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -56.32 -49.71 73.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.685 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -63.87 -37.23 86.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.092 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 93' ' ' ILE . 0.9 OUTLIER -63.15 -50.24 71.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.414 177.163 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.1 mt -61.2 -39.31 89.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.185 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 52.7 ttt-85 -52.24 -57.09 10.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 53.6 mt-10 -65.91 -37.48 86.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.404 -176.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HE1' HD12 ' A' ' 92' ' ' LEU . 84.1 m-70 -83.16 14.71 3.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.462 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 56.51 35.11 25.49 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.036 0.534 . . . . 0.0 111.963 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -119.65 26.12 9.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.368 0.604 . . . . 0.0 109.709 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -113.53 97.61 6.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.108 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -120.52 164.96 15.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.754 -173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -124.59 89.36 3.06 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -89.08 174.23 8.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.559 -176.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -121.65 75.78 35.92 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.29 142.17 90.35 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.766 2.31 . . . . 0.0 112.55 -172.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -78.52 145.96 68.7 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -47.1 -44.64 23.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.043 2.495 . . . . 0.0 113.543 -172.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -62.16 -29.74 70.57 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' HG21 ' A' ' 44' ' ' THR . 37.2 mt-30 -58.67 -45.28 89.77 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.013 0.435 . . . . 0.0 110.241 176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -85.8 -37.13 19.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.275 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.38 -4.54 14.97 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.86 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.498 ' HB3' HG23 ' A' ' 44' ' ' THR . 74.1 p -59.34 -35.65 74.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 169.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.1 m 60.36 22.16 11.7 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.407 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -92.54 131.05 35.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.896 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -50.5 134.65 39.68 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.246 1.964 . . . . 0.0 111.193 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 56.9 m-85 66.79 4.95 3.68 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.586 0.554 . . . . 0.0 111.437 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 54.67 38.42 29.97 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 123.31 0.381 . . . . 0.0 110.447 -170.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.681 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 75.2 mtm -60.6 -18.43 52.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 111.376 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.09 -56.18 3.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' SER . 1.6 p -80.85 -6.03 58.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.99 -177.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 36.5 mtt 68.58 39.27 2.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.835 171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' OE1' ' HA ' ' A' ' 46' ' ' GLU . 7.2 mm-40 -119.77 87.69 38.17 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.436 . . . . 0.0 112.015 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.36 166.05 29.55 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.453 2.102 . . . . 0.0 111.078 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.0 mt 71.77 -52.05 0.69 Allowed 'General case' 0 N--CA 1.472 0.666 0 O-C-N 123.603 0.564 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -55.66 -46.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 122.93 0.492 . . . . 0.0 110.714 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.552 ' CH2' HD13 ' A' ' 55' ' ' LEU . 64.5 t90 -58.94 -37.74 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 57.8 tp -67.2 -50.18 61.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.666 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.08 -56.12 17.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.09 -174.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 72.1 t-105 -90.6 -27.04 19.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 58' ' ' ARG . 46.1 t -110.2 -63.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD13 ' CH2' ' A' ' 50' ' ' TRP . 47.3 tp -57.8 -55.69 31.61 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -169.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.612 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 75.2 mt -58.1 -54.56 54.41 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.627 -177.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 50.1 Cg_exo -56.41 -42.0 70.38 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.867 1.711 . . . . 0.0 112.4 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.5 ttt-85 -63.53 -43.44 97.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.909 0.385 . . . . 0.0 111.065 -179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mmt -63.98 -29.71 70.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.062 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.459 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 19.9 m-70 -58.64 -54.85 42.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.75 -37.43 78.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD12 ' HG3' ' A' ' 67' ' ' GLN . 14.9 tp -61.38 -48.54 80.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.034 0.445 . . . . 0.0 110.522 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.6 mt -73.51 -34.05 65.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.93 -25.39 67.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.009 0.433 . . . . 0.0 110.788 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -96.23 5.55 50.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.28 175.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 68.5 -76.77 0.05 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.396 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' HG3' HD12 ' A' ' 62' ' ' LEU . 15.4 mm100 65.75 162.5 0.13 Allowed Pre-proline 0 N--CA 1.467 0.41 0 C-N-CA 123.119 0.568 . . . . 0.0 111.298 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -73.99 -14.0 23.77 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.471 2.114 . . . . 0.0 112.09 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.3 mt 69.68 137.18 0.05 OUTLIER Pre-proline 0 N--CA 1.468 0.455 0 O-C-N 124.066 0.854 . . . . 0.0 111.883 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 73' ' ' PHE . 59.6 Cg_endo -72.96 104.11 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.51 2.14 . . . . 0.0 110.768 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.49 -17.14 78.89 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 113.266 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.56 26.33 10.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.007 0.432 . . . . 0.0 110.9 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 79.4 t80 -94.78 123.15 38.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.96 178.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.66 126.87 18.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.55 -27.53 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.09 -50.44 88.21 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -176.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.6 Cg_endo -57.34 -29.04 82.71 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.29 1.993 . . . . 0.0 112.407 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -76.73 -44.84 31.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.921 0.391 . . . . 0.0 110.368 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -73.53 -13.87 61.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.998 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -70.51 -19.72 62.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.363 0.602 . . . . 0.0 109.766 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 43.5 mtm -100.13 -35.68 9.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.116 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.17 -25.4 42.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.136 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 90' ' ' ARG . 31.6 tp -99.11 151.93 20.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -45.47 114.86 0.82 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.852 0.72 . . . . 0.0 112.461 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.8 p -72.0 -31.1 65.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.578 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.2 23.38 3.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.514 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -123.78 86.78 53.02 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.95 -26.78 19.19 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 123.881 3.054 . . . . 0.0 114.443 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -66.15 -8.73 25.81 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 84' ' ' ALA . 28.9 ptt180 -69.14 -20.09 64.03 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.71 -34.76 67.77 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.018 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.404 HD12 ' HE1' ' A' ' 21' ' ' HIS . 71.0 mt -64.4 -38.94 92.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.078 0.466 . . . . 0.0 110.573 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 64.8 mt -74.9 -44.9 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.125 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.93 -38.77 92.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.873 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.72 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 99' ' ' LYS . 28.1 tp10 -62.77 -38.56 91.08 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.935 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -65.12 -49.34 70.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.239 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.34 -37.96 76.22 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.321 0.581 . . . . 0.0 110.691 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 31.7 ttpt -62.08 -36.38 81.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.38 177.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.594 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 67.5 tp -70.69 -49.25 49.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.594 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -54.44 -39.6 67.53 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.045 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.643 ' HB3' HG22 ' A' ' 7' ' ' VAL . 96.1 mt -64.66 -35.69 81.86 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.594 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 80.3 m-85 -58.85 -31.24 68.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.438 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.87 0.82 36.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.441 . . . . 0.0 111.128 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -90.08 -28.3 19.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.268 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.639 ' OD2' ' HB ' ' A' ' 3' ' ' THR . 6.8 t70 -77.36 -171.1 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.94 94.34 6.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 21.8 t -105.6 142.43 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.992 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.3 tp -70.57 -19.96 62.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 110.365 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -64.78 -22.8 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -79.32 -12.86 59.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 54.7 m170 65.56 94.3 0.06 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.926 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -158.69 156.93 30.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.78 157.96 40.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -77.07 -34.99 57.0 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.245 0.824 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.857 172.696 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.851 0.357 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.1 p -116.04 -179.27 3.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.919 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 7' ' ' VAL . 57.7 m -60.65 -32.47 71.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.127 0.489 . . . . 0.0 110.117 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -62.2 -38.26 88.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.33 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.458 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -67.07 -37.24 83.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.401 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -62.32 -35.53 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 3' ' ' THR . 47.7 t -69.21 -41.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.356 176.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -58.94 -44.13 91.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.585 177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 86.0 mt -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.581 176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.73 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.733 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.0 mt -62.21 -38.88 90.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.21 0.529 . . . . 0.0 109.681 174.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -74.62 -16.05 60.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.62 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -41.21 52.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 172.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.53 -42.07 99.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.489 172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -54.95 -48.55 73.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.679 175.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.11 92.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.838 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.67 -40.29 96.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 24' ' ' TRP . 91.1 mt -79.67 -2.22 41.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.979 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -94.48 -41.58 9.29 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 167.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -57.82 -62.08 2.06 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.749 175.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -92.78 3.27 55.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.271 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 87.9 mt-30 57.58 -139.14 0.87 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.955 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 81.1 m-70 80.31 -28.18 0.14 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.532 0.733 . . . . 0.0 111.428 -174.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' HB2' ' HB3' ' A' ' 18' ' ' LEU . 70.2 t-105 -55.38 105.13 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.954 0.407 . . . . 0.0 111.024 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -72.59 124.36 25.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.587 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -101.7 16.31 26.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.47 0.652 . . . . 0.0 109.683 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -133.39 134.26 43.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.38 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -92.91 108.0 28.92 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.43 -60.55 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.356 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.831 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 55.8 mt-30 -138.65 139.01 23.01 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 11.9 Cg_exo -70.98 -24.33 24.22 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.442 2.094 . . . . 0.0 110.383 170.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.621 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 44.0 t60 -68.42 -21.18 64.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.852 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.831 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 98.1 mt-30 -64.53 -18.79 65.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.43 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -102.93 -10.86 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.827 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.621 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 13.6 m120 -74.63 -20.79 59.76 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.107 -177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.8 p -61.01 -31.78 71.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m 52.35 62.41 2.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.418 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 17.4 mt-30 -113.95 159.35 36.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.298 -178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.16 -43.98 53.48 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.695 2.263 . . . . 0.0 112.855 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.77 -0.98 10.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.994 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 83.3 m-85 53.4 36.34 22.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.216 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.2 ptp -68.9 -2.5 9.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.649 -169.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -105.33 -49.15 3.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.677 0.275 . . . . 0.0 110.701 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -73.25 -33.71 65.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.791 0.329 . . . . 0.0 111.377 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 63.6 mtm -128.24 178.28 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.687 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.9 mm-40 -83.76 149.28 56.57 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.03 -30.99 72.68 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 122.471 2.114 . . . . 0.0 112.098 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 52' ' ' GLN . 46.3 tp -70.26 -26.22 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.692 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 13.2 mm-40 -75.3 -22.65 57.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 55' ' ' LEU . 50.4 t90 -65.01 -38.74 91.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.215 0.531 . . . . 0.0 110.395 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.96 -34.73 78.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.961 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 48' ' ' LEU . 55.6 mt-30 -84.5 111.74 19.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.421 -174.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 76.23 -8.07 1.71 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.118 171.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 37.8 t -109.5 -73.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.767 -0.583 . . . . 0.0 111.175 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 50' ' ' TRP . 58.3 tp -51.43 -56.09 15.18 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.733 HG23 ' HB3' ' A' ' 11' ' ' LEU . 79.0 mt -58.61 -56.6 34.02 Favored Pre-proline 0 CA--C 1.542 0.671 0 CA-C-O 119.244 -0.407 . . . . 0.0 112.036 -176.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 44.0 Cg_exo -59.36 -42.66 47.02 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.931 1.754 . . . . 0.0 112.831 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -60.13 -41.66 93.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.992 0.425 . . . . 0.0 110.805 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.424 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 22.7 mmt -74.75 -26.19 59.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.983 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 6.6 m-70 -58.25 -40.19 81.15 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -66.03 -50.16 65.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.193 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.72 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 59' ' ' MET . 78.7 mt -69.47 -38.11 77.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.259 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.13 -31.83 70.77 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.256 0.551 . . . . 0.0 110.276 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.4 HD22 ' N ' ' A' ' 65' ' ' ASN . 0.9 OUTLIER -75.16 -10.67 59.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.158 174.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 60.3 mttm 65.46 31.04 10.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.208 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.12 142.38 84.91 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.106 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HB2' ' HB3' ' A' ' 109' ' ' SER . 31.6 Cg_exo -59.52 139.4 89.08 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.67 2.247 . . . . 0.0 111.236 174.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 107' ' ' ASP . 93.7 mt -80.54 147.06 62.52 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-O 121.181 0.515 . . . . 0.0 111.887 -172.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 26.4 Cg_exo -62.5 124.47 14.28 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.702 2.268 . . . . 0.0 110.915 168.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 -22.48 77.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.837 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.23 62.54 1.02 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 110.794 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 70' ' ' PRO . 36.8 t80 -101.09 41.3 1.2 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.586 178.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.05 93.65 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.793 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -92.33 -1.89 10.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.989 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -59.08 -52.54 74.02 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.03 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 10.5 Cg_endo -54.17 -35.23 81.79 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.454 2.103 . . . . 0.0 112.405 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' HA ' ' HE2' ' A' ' 81' ' ' MET . 73.0 t80 -70.11 -48.39 57.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.746 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -64.35 -30.2 71.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.913 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.42 ' HG3' ' HE ' ' A' ' 90' ' ' ARG . 36.9 tt0 -64.2 -34.51 78.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.525 177.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.462 ' HE2' ' HA ' ' A' ' 78' ' ' TYR . 47.0 mtm -79.54 -38.74 33.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.184 0.516 . . . . 0.0 109.861 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.32 77.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -95.2 2.4 54.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.804 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.57 -179.3 0.22 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.913 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 p -80.64 -6.01 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.522 0.677 . . . . 0.0 110.832 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 87' ' ' HIS . 11.9 t70 -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.231 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 6.0 t60 59.95 84.25 0.2 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 122.961 0.504 . . . . 0.0 110.675 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.79 -32.99 39.06 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 123.599 2.866 . . . . 0.0 113.763 -176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 96.7 mt-30 -63.38 -13.29 37.98 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 3.6 ptt-85 -60.71 -32.76 71.99 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.74 88.39 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.09 -38.84 92.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.071 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.5 mt -71.24 -43.6 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.37 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 90' ' ' ARG . 84.1 mt -59.2 -51.12 71.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.2 79.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.994 0.426 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.88 -31.49 69.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.203 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 94.8 mt -77.06 -36.96 55.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.022 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 47.8 mt-10 -63.88 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.071 175.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -62.03 -38.43 88.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.798 175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.0 tp -67.9 -43.53 79.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.456 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.96 -37.52 79.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.246 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.49 66.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.06 0.457 . . . . 0.0 111.098 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 7' ' ' VAL . 87.8 mt -86.64 -39.96 15.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.098 176.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' CD1' ' HD2' ' A' ' 70' ' ' PRO . 24.8 m-85 -64.75 -41.84 95.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.25 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.13 -3.11 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.297 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.58 -37.38 14.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.142 0.496 . . . . 0.0 110.209 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.499 ' HB3' HD12 ' A' ' 69' ' ' LEU . 35.0 t70 -104.76 84.29 2.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.899 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -94.46 150.69 20.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.029 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 68' ' ' PRO . 3.0 p -99.33 -170.06 1.85 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.533 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.33 154.14 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.051 0.453 . . . . 0.0 111.222 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -76.08 138.89 41.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -114.52 110.37 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.822 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 71.59 -36.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.036 0.934 . . . . 0.0 111.957 174.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -57.39 129.06 40.14 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 170.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -65.2 110.18 2.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.688 0.756 . . . . 0.0 112.417 -171.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -178.51 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 113.943 -1.48 . . . . 0.0 108.039 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.179 178.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.922 0.391 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -111.42 -175.83 2.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.02 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 107' ' ' ASP . 56.0 m -63.1 -32.9 74.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.013 0.435 . . . . 0.0 110.03 176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -57.91 -41.59 82.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.144 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 11.6 m-20 -68.29 -43.79 76.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.404 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -61.7 -41.06 97.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.57 HG13 HD11 ' A' ' 100' ' ' LEU . 86.4 t -61.36 -44.32 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.339 . . . . 0.0 110.237 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -58.66 -46.22 87.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.62 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.8 mt -65.35 -34.79 79.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.973 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -70.72 -31.66 68.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.808 0.337 . . . . 0.0 110.5 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 98.0 mt -61.52 -35.72 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -71.45 -33.56 69.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.438 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.07 -48.62 73.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.451 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 60.8 tp -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.894 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.94 -47.66 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.841 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -65.11 -38.23 90.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 ' HG ' ' HD2' ' A' ' 21' ' ' HIS . 1.5 tp -62.99 -43.02 99.93 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.095 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 92.6 mt -61.39 -38.85 88.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.367 178.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -61.16 -52.73 63.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.637 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 42.2 mt-10 -57.38 -46.33 83.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.759 -177.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.586 ' HD2' ' HG ' ' A' ' 17' ' ' LEU . 95.9 m-70 -93.57 15.12 16.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.038 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 57.71 43.63 21.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.923 170.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -112.55 3.83 16.99 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -95.96 87.29 4.55 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.3 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -93.28 130.51 38.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.052 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 4.0 t30 -87.1 75.68 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -133.98 168.49 18.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.83 -173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -113.26 109.85 51.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.573 -176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.41 173.51 4.24 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.299 2.666 . . . . 0.0 112.652 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -87.46 140.21 31.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.214 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.59 -33.0 94.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 123.069 2.512 . . . . 0.0 113.045 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -65.21 -26.3 68.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.942 0.401 . . . . 0.0 110.621 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.98 -36.07 72.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.06 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -78.39 -29.17 47.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.126 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -69.83 -9.81 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.375 -177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 65.6 p -58.85 -35.08 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 172.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 37' ' ' THR . 11.7 m 60.69 31.59 20.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.431 172.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' HB2' ' A' ' 42' ' ' MET . 13.5 mt-30 -110.7 154.12 43.34 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 174.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.5 -40.65 45.29 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.345 2.697 . . . . 0.0 113.83 -171.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -119.41 20.99 12.36 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.413 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' HB2' ' HB2' ' A' ' 46' ' ' GLU . 23.5 m-85 55.03 30.92 15.11 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.587 -178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 48.9 mtt -50.4 -30.3 12.06 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.545 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 30.3 t70 -67.48 -35.29 78.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.919 0.39 . . . . 0.0 110.929 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 45' ' ' MET . 34.0 p -105.3 10.68 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.967 176.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 44' ' ' THR . 93.6 mmm 84.0 -90.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.672 1.189 . . . . 0.0 111.385 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER 37.96 55.34 4.24 Favored Pre-proline 0 N--CA 1.473 0.723 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -177.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.4 -55.76 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 121.423 1.416 . . . . 0.0 112.644 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 79' ' ' TYR . 66.0 tp -91.77 -36.94 13.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 0.0 110.862 -175.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -76.32 6.14 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.125 -177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.725 ' CH2' HD13 ' A' ' 55' ' ' LEU . 52.5 t90 -74.71 -24.93 58.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.018 175.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 14' ' ' LEU . 97.4 mt -67.24 -51.3 54.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.509 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -77.58 127.0 31.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.633 -176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.422 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 98.1 m95 70.14 -1.45 2.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.329 -0.851 . . . . 0.0 113.121 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.603 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 25.5 t -118.69 -78.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.927 173.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.725 HD13 ' CH2' ' A' ' 50' ' ' TRP . 52.4 tp -53.78 -46.12 70.91 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -173.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HB ' ' CD ' ' A' ' 57' ' ' PRO . 59.2 mt -58.9 -64.05 3.4 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -177.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.515 ' CD ' ' HB ' ' A' ' 56' ' ' ILE . 21.6 Cg_endo -62.66 -32.61 78.82 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 121.928 1.752 . . . . 0.0 112.31 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -58.34 -44.21 88.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.165 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.487 ' HE3' HD11 ' A' ' 55' ' ' LEU . 50.9 mtt -81.88 -27.18 33.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.734 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -60.3 -39.65 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 175.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.8 -42.4 63.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.979 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 67' ' ' GLN . 9.5 tp -52.44 -53.42 45.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.141 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD11 HG12 ' A' ' 7' ' ' VAL . 46.6 mt -70.09 -39.5 75.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.684 -175.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -65.78 -33.32 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 111.059 -177.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -96.44 23.83 6.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.228 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 69.7 -81.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.737 0.648 . . . . 0.0 111.101 178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.546 ' HG3' HD12 ' A' ' 62' ' ' LEU . 83.4 mm-40 66.89 149.71 0.12 Allowed Pre-proline 0 N--CA 1.465 0.285 0 O-C-N 124.034 0.834 . . . . 0.0 111.96 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.66 -8.7 22.89 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.394 2.063 . . . . 0.0 112.043 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.5 mt 68.87 151.56 0.13 Allowed Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.174 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -61.91 -34.61 81.13 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.536 2.157 . . . . 0.0 111.792 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.77 -39.86 3.08 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.247 -0.501 . . . . 0.0 112.29 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.52 70.31 1.38 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.327 0.584 . . . . 0.0 109.786 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 64.3 t80 -106.89 124.34 49.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.151 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.87 136.04 45.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.41 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 m -128.29 -29.38 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.25 -49.12 95.72 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 45.1 Cg_exo -58.19 -35.04 99.08 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.994 1.796 . . . . 0.0 112.615 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -70.1 -45.93 65.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.931 0.396 . . . . 0.0 110.473 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.617 ' HE2' ' HA ' ' A' ' 48' ' ' LEU . 40.0 m-85 -72.21 -21.4 61.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.609 -178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.23 -22.73 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.399 0.619 . . . . 0.0 109.843 173.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.6 mtp -91.71 -39.67 11.7 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.77 79.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.366 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.1 125.0 34.84 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.23 167.26 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.625 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -21.51 57.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.133 -170.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -86.12 -170.92 3.32 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 64.1 t60 64.07 89.67 0.1 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 13.6 Cg_endo -55.7 -22.33 35.95 Favored 'Trans proline' 0 N--CA 1.479 0.635 0 C-N-CA 123.87 3.046 . . . . 0.0 113.945 -170.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.585 ' O ' HG13 ' A' ' 93' ' ' ILE . 87.1 mm-40 -60.55 -19.72 58.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.271 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 21.2 ttt180 -49.44 -51.68 34.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.012 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.71 92.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.278 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.15 -40.1 82.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.808 -179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 89' ' ' GLN . 55.2 mt -63.58 -50.13 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.958 176.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD12 ' A' ' 97' ' ' LEU . 95.4 mt -60.58 -34.16 73.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.14 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.82 66.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 111.132 178.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -66.51 -31.36 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.571 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 71.2 mt -65.25 -44.54 87.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.622 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -60.76 -32.08 71.39 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.034 0.209 . . . . 0.0 111.141 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.757 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 67.2 mttm -59.97 -54.4 46.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.376 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.57 HD11 HG13 ' A' ' 7' ' ' VAL . 37.1 tp -63.73 -42.33 97.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.359 0.599 . . . . 0.0 110.163 178.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.82 -46.87 78.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.333 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.76 60.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.836 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 85.3 mt -74.52 -35.38 63.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.758 0.313 . . . . 0.0 110.429 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -75.34 -15.86 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.409 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.57 -9.43 52.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.899 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -83.87 -51.24 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.965 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.578 ' HB2' HG21 ' A' ' 3' ' ' THR . 7.7 t70 -73.8 105.2 4.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.19 114.63 3.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 0.0 110.999 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.657 ' HA ' ' HD2' ' A' ' 112' ' ' HIS . 7.5 p -69.52 2.08 3.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.528 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.56 -27.72 69.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 109.71 173.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -85.57 -0.23 54.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.856 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.657 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 88.0 m-70 -124.5 98.34 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.008 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -80.98 115.22 20.34 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 -175.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -81.32 90.6 6.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.843 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -74.82 146.53 41.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.628 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -149.62 73.93 1.2 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.596 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.629 178.224 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.667 0.27 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 3' ' ' THR . 1.3 m -78.65 169.22 18.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.684 -177.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 7' ' ' VAL . 20.1 m -55.63 -44.79 77.44 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -53.71 -50.86 64.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.13 0.491 . . . . 0.0 110.563 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.514 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 19.8 t70 -60.0 -39.22 84.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.272 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -65.06 -41.8 94.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.506 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.699 HG22 ' HB3' ' A' ' 103' ' ' LEU . 47.4 t -64.52 -36.66 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.268 0.556 . . . . 0.0 109.827 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 56.3 ttp180 -64.68 -42.54 95.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.175 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 96.0 mt -58.94 -37.9 77.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.733 174.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HG2' ' HE3' ' A' ' 99' ' ' LYS . 21.9 tm0? -63.68 -41.58 98.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.933 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.0 mt -60.21 -36.5 77.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.031 0.443 . . . . 0.0 110.519 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 83.9 mt-30 -69.13 -37.49 78.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.046 176.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.93 -39.32 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.958 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.2 tp -60.74 -44.21 96.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.781 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.64 -44.07 85.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.853 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -59.92 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.979 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.41 -44.82 95.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.363 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.47 -36.75 84.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.493 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -65.74 -43.94 87.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.867 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.3 mt-10 -59.05 -37.93 78.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 111.263 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -96.95 14.53 25.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.664 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 55.05 31.09 15.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.384 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -101.87 0.81 36.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.036 0.446 . . . . 0.0 109.905 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -79.98 95.92 6.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.445 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -116.87 141.72 47.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.394 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -112.11 100.24 8.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -106.57 179.93 4.12 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 32.1 mm-40 -95.41 110.24 49.67 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 14.4 Cg_exo -69.19 146.68 64.52 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.979 2.453 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -98.85 140.41 21.73 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.313 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -59.39 -37.08 92.17 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.394 2.063 . . . . 0.0 111.627 177.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -59.83 -31.87 70.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.691 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -59.78 -53.16 61.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.967 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -77.92 -22.29 49.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.198 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -73.9 -18.11 60.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.148 0.499 . . . . 0.0 110.26 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -67.14 -28.27 68.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 172.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m 55.12 58.3 4.84 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.759 171.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -113.31 143.53 29.46 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.639 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.77 -44.96 40.11 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.928 2.419 . . . . 0.0 112.817 -176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 50' ' ' TRP . 96.6 m-85 -110.96 -2.11 16.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.679 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 83.4 m-85 53.82 83.0 0.08 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.785 0.802 . . . . 0.0 110.541 -174.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 50.4 mtt -102.59 -40.51 6.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.871 -172.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.73 -16.3 32.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.283 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 41' ' ' PHE . 19.0 p -61.17 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.625 -177.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.586 ' HB3' ' OE1' ' A' ' 49' ' ' GLU . 41.9 ttp -140.79 -75.51 0.32 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.994 175.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 38.8 mt-10 -156.12 134.35 7.21 Favored Pre-proline 0 C--O 1.223 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 32.2 Cg_exo -59.58 0.28 0.59 Allowed 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 123.398 2.732 . . . . 0.0 114.378 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.15 -18.33 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 110.143 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.586 ' OE1' ' HB3' ' A' ' 45' ' ' MET . 11.1 pt-20 -67.12 -23.13 65.79 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.092 178.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.656 ' CH2' HD13 ' A' ' 55' ' ' LEU . 27.0 t90 -65.69 -37.12 85.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.852 -173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.69 -23.41 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -79.11 -83.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.681 -172.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' A' ' 50' ' ' TRP . 43.1 t -102.55 -68.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 119.873 -0.731 . . . . 0.0 111.106 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.656 HD13 ' CH2' ' A' ' 50' ' ' TRP . 56.6 tp -52.64 -53.99 39.43 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 81.2 mt -60.21 -56.8 31.88 Favored Pre-proline 0 CA--C 1.541 0.626 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 22.1 Cg_exo -66.71 -32.79 36.9 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.869 1.713 . . . . 0.0 112.621 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -64.33 -46.24 84.37 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.902 0.382 . . . . 0.0 110.465 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mmt -76.32 -24.95 54.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -64.03 -46.34 84.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.362 . . . . 0.0 110.496 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -61.33 -23.72 65.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.1 tp -80.46 -60.28 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.15 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.9 mt -64.98 -38.53 91.28 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.485 -173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -77.13 -0.2 24.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.802 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -122.21 18.82 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.546 171.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 mttm 67.83 -90.98 0.03 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.808 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 62.04 166.21 0.1 Allowed Pre-proline 0 N--CA 1.469 0.508 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.82 159.83 44.56 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.367 2.045 . . . . 0.0 110.967 170.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.9 mt -108.06 123.78 36.65 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.697 0.284 . . . . 0.0 110.865 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.31 91.35 0.47 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.547 2.165 . . . . 0.0 111.107 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 104' ' ' PHE . . . -74.71 -10.77 83.29 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.802 -0.636 . . . . 0.0 113.591 -171.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 18.83 4.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.378 0.608 . . . . 0.0 110.427 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 36.0 t80 -73.7 123.51 24.21 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.868 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -149.48 99.04 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.46 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.7 m -104.17 -15.9 7.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.698 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -57.6 -52.01 77.5 Favored Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 178.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 32.9 Cg_endo -64.62 -22.33 64.74 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.911 1.741 . . . . 0.0 112.416 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -73.54 -46.31 48.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.424 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -77.81 -12.64 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 111.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.9 -34.26 74.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.682 0.753 . . . . 0.0 109.122 167.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.3 ttp -97.43 -45.5 6.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.526 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.57 -29.57 64.87 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -172.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.9 tp -88.15 -90.21 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.694 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -177.54 172.84 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 p -92.57 -13.16 30.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.252 0.548 . . . . 0.0 110.979 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.372 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 89' ' ' GLN . 19.2 t60 65.11 87.55 0.12 Allowed Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.806 0.691 . . . . 0.0 110.51 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.68 -25.46 15.04 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.978 3.119 . . . . 0.0 114.698 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . 95.6 mt-30 -61.09 -14.69 25.81 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 122.351 -0.218 . . . . 0.0 111.493 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -61.15 -23.13 65.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.589 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.59 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.794 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.5 -43.13 86.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.166 0.508 . . . . 0.0 110.072 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 62.7 mt -63.02 -48.67 86.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.284 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.26 -40.41 93.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.03 92.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.628 177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 21.7 tp10 -65.2 -40.97 94.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.162 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 92.5 mt -63.28 -49.58 73.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.67 178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.57 -34.81 71.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 110.638 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HE3' ' HG2' ' A' ' 10' ' ' GLN . 39.0 ttpt -65.77 -39.15 90.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.42 178.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD13 ' OE1' ' A' ' 10' ' ' GLN . 57.2 tp -72.26 -48.45 42.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.682 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 95.9 m-20 -54.82 -41.43 70.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.453 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.74 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.692 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.699 ' HB3' HG22 ' A' ' 7' ' ' VAL . 69.1 mt -70.06 -36.43 74.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.448 ' HB3' ' HA2' ' A' ' 71' ' ' GLY . 76.4 m-85 -74.39 -33.69 63.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.508 . . . . 0.0 109.667 173.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.7 11.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.532 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.85 -45.66 85.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.209 0.528 . . . . 0.0 109.619 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -101.97 99.98 10.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.732 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.7 106.27 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 173.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.623 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 42.6 m -58.65 86.8 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 O-C-N 124.222 0.952 . . . . 0.0 113.267 -167.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 109' ' ' SER . 18.3 mt -171.83 119.52 0.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.247 1.419 . . . . 0.0 107.397 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.91 11.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.851 0.357 . . . . 0.0 111.85 -173.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -103.66 -11.22 17.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.473 ' CE1' HD12 ' A' ' 110' ' ' LEU . 31.9 m170 -80.41 -69.19 0.61 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.978 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -79.43 142.43 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -92.01 133.66 35.52 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -65.8 -57.88 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.629 0.252 . . . . 0.0 110.354 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.622 177.6 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.1 mtp . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 m 58.92 96.76 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m -86.6 -28.37 23.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.55 0.69 . . . . 0.0 110.477 176.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 63' ' ' LEU . 37.5 m80 -63.94 -37.73 88.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.855 -170.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.9 t70 -62.37 -38.41 89.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.234 0.54 . . . . 0.0 110.44 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -66.34 -43.13 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.475 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.619 HG22 ' HB3' ' A' ' 103' ' ' LEU . 44.3 t -64.32 -38.46 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.137 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -60.38 -40.06 89.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.69 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 85.5 mt -65.39 -38.58 90.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.703 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' OE1' HD13 ' A' ' 100' ' ' LEU . 21.7 tm0? -63.09 -42.8 99.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.889 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.5 mt -56.73 -39.13 73.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 110.748 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -71.84 -30.81 65.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.42 63.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.18 -41.01 99.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.855 175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -54.76 -47.69 73.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.085 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.8 -43.68 98.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 8.2 tt -58.74 -44.01 90.38 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.143 0.497 . . . . 0.0 110.651 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.622 HD13 ' HG2' ' A' ' 52' ' ' GLN . 89.4 mt -69.31 -33.53 73.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.495 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -69.2 -40.56 77.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.468 177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 47.0 mt-10 -48.92 -51.98 27.09 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.094 0.473 . . . . 0.0 111.213 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -92.37 13.18 20.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.782 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 56.65 41.02 28.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.086 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -108.24 2.76 22.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.779 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.408 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 49.4 t-105 -80.42 120.6 24.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.057 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -89.82 124.89 35.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 111.249 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -103.71 9.52 37.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.712 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.62 165.35 25.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.821 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -96.05 117.81 66.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 53' ' ' TRP . 17.6 Cg_exo -68.89 145.37 61.99 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.863 2.375 . . . . 0.0 111.504 173.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -99.07 139.0 20.69 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.886 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -38.96 -40.53 1.56 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.547 3.498 . . . . 0.0 115.597 -174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -65.71 -13.2 58.81 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 122.049 -0.407 . . . . 0.0 111.935 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' HG2' ' HB ' ' A' ' 44' ' ' THR . 52.5 mt-30 -79.76 -0.76 35.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.164 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -101.19 -0.5 35.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.114 0.483 . . . . 0.0 110.242 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -75.35 -29.67 60.01 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.614 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.541 ' HB3' ' HB2' ' A' ' 43' ' ' ASP . 7.5 p -63.53 109.06 1.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -88.25 -9.36 53.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.801 -169.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.57 144.0 97.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 174.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.35 -30.79 54.09 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.53 2.82 . . . . 0.0 113.875 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -98.16 2.85 48.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.362 -177.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 52.14 34.3 13.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.361 0.6 . . . . 0.0 110.509 -177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 ptp -70.19 0.62 5.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.745 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 4.1 m-20 -93.82 -14.81 25.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.688 0.28 . . . . 0.0 111.068 179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 ' HB ' ' HG2' ' A' ' 33' ' ' GLN . 64.7 p -134.77 -47.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.455 . . . . 0.0 111.209 -176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.5 mmm -85.55 157.03 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 -177.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 49' ' ' GLU . 10.7 mm-40 -82.38 144.49 49.96 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.07 -56.94 2.66 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.913 2.408 . . . . 0.0 113.071 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 45.5 tp -67.48 -28.55 67.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.126 0.489 . . . . 0.0 110.804 -178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 46' ' ' GLU . 41.0 tt0 -70.68 -40.74 72.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.388 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -57.59 -41.33 80.95 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.603 176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD12 HD23 ' A' ' 55' ' ' LEU . 49.4 tp -52.8 -40.65 63.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.866 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.622 ' HG2' HD13 ' A' ' 18' ' ' LEU . 38.3 mt-30 -83.57 -53.91 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.531 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 29' ' ' PRO . 72.8 t-105 -78.29 -37.71 44.26 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -171.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.01 -60.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.085 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.641 HD23 HD12 ' A' ' 51' ' ' LEU . 40.0 tp -57.05 -60.01 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -170.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.889 HG23 ' HB3' ' A' ' 11' ' ' LEU . 80.7 mt -55.34 -56.88 24.01 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.619 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 23.5 Cg_exo -65.87 -34.66 38.63 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.145 1.897 . . . . 0.0 112.841 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -70.0 -37.89 75.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.216 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.7 mmt -67.02 -26.73 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.105 177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.543 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 13.6 m-70 -58.04 -42.6 85.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 174.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.4 -47.05 83.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 70' ' ' PRO . 26.2 tp -58.28 -43.01 87.82 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 59' ' ' MET . 72.1 mt -73.16 -40.21 65.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.007 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.3 -34.19 75.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.43 . . . . 0.0 110.857 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -75.77 -8.47 56.95 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.555 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 66.19 32.01 8.31 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.711 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 20.8 mm-40 -66.63 147.76 98.9 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.556 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 20.9 Cg_exo -66.97 11.18 0.19 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.488 2.792 . . . . 0.0 113.666 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 107' ' ' ASP . 81.6 mt 72.6 155.87 0.16 Allowed Pre-proline 0 N--CA 1.466 0.365 0 C-N-CA 123.484 0.713 . . . . 0.0 111.786 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HD3' HD21 ' A' ' 62' ' ' LEU . 9.7 Cg_endo -53.53 -35.27 75.95 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.235 2.623 . . . . 0.0 112.848 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.75 -36.18 3.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.524 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.46 72.47 1.41 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.514 0.673 . . . . 0.0 109.958 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -113.2 132.95 55.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.68 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.505 ' HA ' ' CG ' ' A' ' 101' ' ' ASP . . . -152.55 107.85 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.685 0.279 . . . . 0.0 111.202 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 9.1 m -101.36 -20.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -52.74 -51.95 68.97 Favored Pre-proline 0 CA--C 1.541 0.601 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 18.9 Cg_endo -60.27 -21.82 68.3 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.215 1.943 . . . . 0.0 112.757 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -80.92 -44.95 17.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.037 0.446 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 49.3 m-85 -70.5 -12.75 61.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.404 -177.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -58.99 -31.15 68.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.239 0.543 . . . . 0.0 110.058 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 35.2 mtm -97.96 -37.04 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.609 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -77.83 -25.9 49.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.381 -172.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.503 HD21 HD12 ' A' ' 93' ' ' ILE . 15.5 tp -105.68 147.14 28.85 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -176.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.96 122.05 10.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.857 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -46.95 62.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.652 -177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -78.23 6.1 8.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.701 0.286 . . . . 0.0 111.454 -175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.9 t60 -105.71 98.61 18.28 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -177.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 87' ' ' HIS . 7.8 Cg_endo -50.63 -24.34 12.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 124.04 3.16 . . . . 0.0 114.521 -174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.65 -21.62 40.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.497 0.189 . . . . 0.0 111.31 177.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 87' ' ' HIS . 42.6 ptt85 -64.15 -29.16 70.29 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.6 -39.86 95.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.945 0.403 . . . . 0.0 110.543 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.414 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 60.2 mt -71.8 -44.52 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.179 -177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 HD12 ' A' ' 97' ' ' LEU . 86.1 mt -61.88 -43.78 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.231 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.4 87.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.338 177.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' NE2' ' A' ' 10' ' ' GLN . 30.5 tp10 -67.31 -42.23 84.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.892 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.0 mt -62.16 -49.47 75.71 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.216 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -56.22 -39.68 72.87 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.179 0.514 . . . . 0.0 110.677 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 38.9 ttpt -63.51 -35.19 79.64 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.302 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.557 HD13 ' OE1' ' A' ' 10' ' ' GLN . 56.8 tp -77.63 -41.53 38.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.562 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.505 ' CG ' ' HA ' ' A' ' 74' ' ' ALA . 86.2 m-20 -55.88 -40.67 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.058 0.456 . . . . 0.0 110.303 177.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.16 -23.62 63.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.619 ' HB3' HG22 ' A' ' 7' ' ' VAL . 93.9 mt -75.12 -34.75 61.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 0.0 110.459 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HA ' HD13 ' A' ' 69' ' ' LEU . 53.4 m-85 -79.41 -8.36 59.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -93.25 -25.97 17.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.144 0.497 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -120.13 98.17 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.001 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.545 ' HB2' HD12 ' A' ' 69' ' ' LEU . 13.7 t70 -111.23 129.26 56.02 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.42 96.8 8.67 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.915 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.7 m -84.86 165.63 17.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.065 -176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.8 mt -86.67 -57.41 3.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.78 -176.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -78.85 136.05 37.21 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.84 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -120.26 131.87 55.1 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.42 -37.48 86.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 109.395 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -117.81 142.16 47.61 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -75.0 6.33 4.24 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -132.45 -85.03 0.48 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 170.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.965 177.527 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -115.17 168.76 9.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.525 HG21 ' HB2' ' A' ' 107' ' ' ASP . 7.0 t -66.8 -24.87 66.23 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.046 0.45 . . . . 0.0 109.983 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.94 -32.73 74.37 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 20.3 m-20 -66.49 -46.52 76.01 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.987 0.423 . . . . 0.0 110.333 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.231 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.505 ' HA ' HD13 ' A' ' 103' ' ' LEU . 62.0 t -66.34 -42.01 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.044 0.45 . . . . 0.0 110.315 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.94 -44.83 95.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.243 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.5 mt -66.55 -30.9 71.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.036 0.446 . . . . 0.0 110.352 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' OE1' ' HD3' ' A' ' 99' ' ' LYS . 24.1 tp60 -71.27 -33.88 70.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.157 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.684 ' HB3' HG23 ' A' ' 56' ' ' ILE . 97.7 mt -62.95 -39.18 93.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.811 174.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.18 -37.33 85.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.63 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.03 -43.62 82.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.671 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 62.0 tp -61.73 -44.01 97.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.933 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -57.52 -43.05 84.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.517 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.91 -40.35 97.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.724 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD21 HG12 ' A' ' 93' ' ' ILE . 3.2 tp -64.22 -43.46 94.89 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.462 178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 94.9 mt -63.15 -38.41 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.032 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 27.1 ttt-85 -56.99 -50.52 72.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.731 174.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 49.3 mt-10 -59.97 -57.44 12.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.536 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -83.53 12.71 5.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.558 -172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 54.5 65.57 1.47 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.515 0.674 . . . . 0.0 111.83 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -132.19 29.62 4.31 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.338 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -106.92 120.94 43.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.78 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 25' ' ' ARG . 54.6 mtt180 -130.16 -176.39 3.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.128 0.49 . . . . 0.0 110.364 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -139.63 98.91 3.58 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 168.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.57 -173.13 2.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.282 -175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -103.89 154.68 37.89 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.51 -174.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.557 ' HA ' ' HE2' ' A' ' 34' ' ' PHE . 6.4 Cg_exo -74.48 67.32 5.46 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.803 2.336 . . . . 0.0 111.03 174.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -58.75 111.53 3.77 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.899 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.59 -41.67 52.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.087 2.524 . . . . 0.0 113.535 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -69.67 -22.15 63.46 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.282 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -72.47 -58.19 3.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.777 0.323 . . . . 0.0 110.504 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' HE2' ' HA ' ' A' ' 29' ' ' PRO . 86.6 m-85 -68.53 -18.07 64.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.815 0.34 . . . . 0.0 111.262 -176.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.7 -6.7 59.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.945 0.402 . . . . 0.0 110.546 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 m -68.17 -35.95 78.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 170.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.2 m 69.22 -5.48 1.08 Allowed 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.074 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.506 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 96.5 mt-30 -58.26 144.46 77.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -50.17 -39.79 51.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.706 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 8.9 m-85 -112.75 5.7 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.894 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 50.2 m-85 50.56 38.98 20.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.164 0.507 . . . . 0.0 110.478 -174.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.669 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 63.3 mtm -54.4 -26.73 32.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -168.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -76.91 -52.0 10.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.947 0.403 . . . . 0.0 110.769 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 p -86.56 -21.08 27.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.144 -173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 ttt -138.29 139.69 39.25 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -78.25 159.16 75.86 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -56.19 -26.88 63.1 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.388 2.059 . . . . 0.0 111.569 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.32 138.88 40.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.722 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 73.77 -22.27 0.25 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.069 0.855 . . . . 0.0 111.746 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.534 ' CH2' HD13 ' A' ' 55' ' ' LEU . 86.6 t90 -61.61 -25.29 67.26 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.037 0.446 . . . . 0.0 110.686 177.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 56' ' ' ILE . 72.8 mt -52.14 -31.39 30.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.306 177.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -116.42 170.29 8.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.122 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 32.6 t-105 72.61 -48.19 0.68 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.441 0.697 . . . . 0.0 111.459 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -100.21 -70.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.112 176.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.534 HD13 ' CH2' ' A' ' 50' ' ' TRP . 55.1 tp -52.9 -60.5 3.19 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -171.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 HG23 ' HB3' ' A' ' 11' ' ' LEU . 83.8 mt -55.7 -56.74 26.63 Favored Pre-proline 0 CA--C 1.546 0.801 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.626 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 24.8 Cg_exo -65.33 -33.52 47.79 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.981 1.787 . . . . 0.0 112.995 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 71.9 ttt180 -65.11 -39.27 92.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.047 0.451 . . . . 0.0 110.111 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.591 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -75.39 -30.53 60.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 178.057 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -57.15 -41.29 78.87 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 58' ' ' ARG . 2.9 t70 -56.31 -53.48 56.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.852 174.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 ' HD3' ' A' ' 70' ' ' PRO . 38.2 tp -57.93 -44.25 86.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.096 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 59' ' ' MET . 67.0 mt -69.31 -42.47 75.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 25.5 t70 -67.35 -39.85 85.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.24 -14.13 62.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.128 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 53.6 mttp 65.15 32.02 10.47 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.222 173.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.522 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.64 151.4 68.15 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.629 179.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.29 138.91 88.4 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 122.522 2.148 . . . . 0.0 111.145 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 64.5 mt -66.51 146.94 99.1 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.626 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.526 ' HD3' HD21 ' A' ' 62' ' ' LEU . 60.3 Cg_exo -51.35 -36.16 56.67 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.301 2.667 . . . . 0.0 112.944 -177.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.12 3.34 Favored Glycine 0 CA--C 1.517 0.162 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.846 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.45 65.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.701 0.762 . . . . 0.0 109.828 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -136.48 96.28 3.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.511 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.78 136.83 48.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.265 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.73 -28.71 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.53 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -62.52 -50.51 78.36 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.708 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 14.2 Cg_endo -57.15 -32.97 94.96 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.284 1.989 . . . . 0.0 112.058 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -73.08 -47.32 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.569 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 19.5 m-85 -67.87 -23.21 65.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.51 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.22 -22.08 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 109.998 173.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 71.3 mtp -98.93 -50.76 4.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.204 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.16 -41.7 97.25 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.044 -175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.63 80.77 4.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' ASP . . . -59.66 159.05 9.09 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.944 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.97 20.21 0.13 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.677 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' ALA . 28.8 t70 -68.12 -43.34 78.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.617 175.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -113.68 114.12 47.3 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.679 174.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.92 179.81 2.07 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.226 2.618 . . . . 0.0 112.222 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 65.37 27.58 11.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.076 0.465 . . . . 0.0 110.817 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -77.04 -20.24 56.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.123 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.96 64.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.094 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.13 -46.28 88.02 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.349 0.595 . . . . 0.0 109.707 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.7 mt -65.11 -46.84 89.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.851 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 97' ' ' LEU . 95.1 mt -58.92 -34.37 71.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.036 178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.33 59.4 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.822 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.514 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 71.8 mm-40 -66.01 -30.56 71.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.889 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 84.8 mt -66.84 -44.8 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.031 177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 51.9 mt-10 -60.06 -35.16 74.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.669 0.271 . . . . 0.0 110.754 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 53.8 mttm -55.99 -57.14 13.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.399 174.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 103' ' ' LEU . 38.4 tp -62.82 -40.32 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.66 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.31 -43.4 83.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.54 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.483 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 98.4 mt -63.47 -37.29 86.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.044 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -71.65 -12.54 61.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.13 1.44 39.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.261 0.553 . . . . 0.0 110.175 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.05 -42.36 17.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.336 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.525 ' HB2' HG21 ' A' ' 3' ' ' THR . 37.4 t70 -85.88 17.78 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.349 1.071 . . . . 0.0 109.932 177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.78 5.04 45.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.503 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 38.1 m -58.51 -44.06 89.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.098 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.2 mt -95.32 94.07 7.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.453 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -63.92 -33.2 75.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.896 -179.343 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -88.16 88.41 7.63 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 167.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -69.91 -9.28 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.595 -172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -95.22 3.25 54.81 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.192 0.52 . . . . 0.0 110.263 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -125.25 126.01 44.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.154 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -135.05 166.99 21.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.921 173.767 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.6 mtp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.58 0.229 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -20.77 66.4 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 7' ' ' VAL . 26.8 m -55.93 -41.48 74.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.618 177.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -60.23 -35.94 76.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.6 t70 -69.84 -41.4 74.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.628 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.84 -34.48 78.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.678 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 3' ' ' THR . 88.9 t -62.3 -41.39 91.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.192 176.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 43.4 ttp85 -59.95 -43.89 94.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.278 177.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 75.0 mt -62.8 -37.92 88.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.517 178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -63.45 -45.46 90.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.909 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.781 ' HB3' HG23 ' A' ' 56' ' ' ILE . 84.5 mt -57.02 -42.85 81.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.463 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 96.8 mt-30 -64.84 -35.4 80.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.66 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -41.16 77.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.705 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HD22 ' A' ' 51' ' ' LEU . 60.2 tp -61.72 -42.81 99.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.14 176.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.42 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.167 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.69 -30.79 70.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.199 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -50.2 69.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.322 177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.77 HD13 HE21 ' A' ' 52' ' ' GLN . 86.9 mt -78.57 -12.08 60.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.057 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -74.94 -52.65 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.713 174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.17 -33.9 61.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.349 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -90.57 52.92 2.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -22.68 85.26 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 125.714 1.884 . . . . 0.0 114.56 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -140.37 8.25 2.21 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.934 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -78.1 130.63 36.64 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.665 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' OE1' ' A' ' 52' ' ' GLN . 98.1 mtt180 -61.91 119.03 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.463 177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -92.95 29.37 1.84 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -106.35 -158.5 0.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.371 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -148.95 134.18 9.43 Favored Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HG3' ' HB3' ' A' ' 53' ' ' TRP . 77.4 Cg_exo -48.61 124.87 11.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.467 2.778 . . . . 0.0 114.484 -174.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -113.05 145.75 33.76 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.964 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.05 -34.3 56.8 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 123.521 2.814 . . . . 0.0 114.139 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -64.94 -25.33 67.83 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.7 0.286 . . . . 0.0 110.737 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -72.49 -21.91 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.997 0.427 . . . . 0.0 110.342 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 93.4 m-85 -100.84 16.07 26.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.39 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 50.4 t30 -75.82 163.23 27.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.094 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m 69.07 -3.88 1.4 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.191 0.596 . . . . 0.0 111.829 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t 36.22 68.68 0.23 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.332 1.053 . . . . 0.0 112.569 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 83.4 mt-30 -110.81 143.58 28.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.017 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -61.25 -28.74 85.25 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.649 2.233 . . . . 0.0 112.345 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -118.1 -1.68 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 79.5 m-85 47.76 79.34 0.07 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.456 0.646 . . . . 0.0 111.292 -175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 47.3 mtt -93.72 -23.7 18.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.059 -171.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -93.26 -46.45 7.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.518 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 35' ' ' ASN . 23.5 p -71.25 -35.76 71.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.946 -175.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 45.1 mtm -133.68 175.89 9.04 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 -178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.84 147.96 42.41 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.04 -28.82 33.87 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.913 2.409 . . . . 0.0 113.464 -175.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 83' ' ' LEU . 60.5 tp -72.11 -28.16 63.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.014 0.435 . . . . 0.0 110.953 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.59 -14.38 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -176.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.586 ' CH2' HD13 ' A' ' 55' ' ' LEU . 41.0 t90 -61.47 -33.5 73.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.188 0.518 . . . . 0.0 110.922 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 14' ' ' LEU . 71.4 mt -63.94 -29.76 70.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.352 0.596 . . . . 0.0 110.254 177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.77 HE21 HD13 ' A' ' 18' ' ' LEU . 49.7 mt-30 -95.62 113.25 24.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.494 -169.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.621 ' HB3' ' HG3' ' A' ' 29' ' ' PRO . 98.1 m95 71.39 2.18 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.698 174.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.0 t -117.4 -74.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.626 168.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' CH2' ' A' ' 50' ' ' TRP . 60.7 tp -54.92 -56.05 23.81 Favored 'General case' 0 C--O 1.227 -0.124 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.781 HG23 ' HB3' ' A' ' 11' ' ' LEU . 78.8 mt -58.47 -55.44 45.74 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 34.0 Cg_exo -60.93 -39.13 63.74 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.863 1.709 . . . . 0.0 112.779 176.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -66.09 -35.86 81.64 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.981 0.42 . . . . 0.0 109.991 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 19.4 mmt -70.11 -33.72 72.21 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.7 176.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.13 -42.98 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.104 0.478 . . . . 0.0 109.791 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.66 -41.18 92.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.438 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.8 tp -65.07 -39.49 93.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.823 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' MET . 97.0 mt -72.82 -31.73 65.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.015 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -64.98 -48.06 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 173.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.84 -19.48 65.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.603 173.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.5 mttp 74.12 -76.71 0.06 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 114.704 -1.135 . . . . 0.0 110.829 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 64.38 164.22 0.12 Allowed Pre-proline 0 CA--C 1.536 0.436 0 O-C-N 123.473 0.483 . . . . 0.0 112.038 173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -74.28 -4.54 15.58 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.64 2.227 . . . . 0.0 111.68 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.0 mt 71.63 148.43 0.12 Allowed Pre-proline 0 N--CA 1.467 0.375 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.865 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.34 104.12 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.272 1.981 . . . . 0.0 111.355 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.77 10.97 29.18 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.258 -174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -135.4 26.59 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.132 0.491 . . . . 0.0 110.219 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -87.9 103.39 15.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.681 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -137.49 106.19 5.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.325 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.1 m -103.2 -3.96 9.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.621 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.13 -49.53 93.43 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.764 177.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.0 Cg_exo -62.35 -23.9 75.46 Favored 'Trans proline' 0 C--N 1.359 1.122 0 C-N-CA 121.927 1.751 . . . . 0.0 112.286 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -76.47 -44.79 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.964 0.412 . . . . 0.0 110.188 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.593 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 37.4 m-85 -76.51 -14.91 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.377 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -64.61 -30.8 71.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 61.6 mtp -87.92 -41.13 13.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -67.56 -47.75 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.362 -177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.467 HD21 HD13 ' A' ' 48' ' ' LEU . 83.5 mt -87.4 102.78 14.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.49 -158.4 0.3 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.246 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -15.36 62.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.663 -178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 9.1 t70 -82.69 179.19 7.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 55.6 t60 71.21 122.83 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.302 0 CA-C-O 121.075 0.464 . . . . 0.0 111.156 -176.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -65.95 120.97 8.21 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.543 2.162 . . . . 0.0 112.232 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 65.08 84.37 0.15 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.719 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -87.27 -28.04 22.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.338 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.91 -34.74 78.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.235 -175.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.35 -37.98 85.3 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.061 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.597 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 58.0 mt -67.56 -43.37 87.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.402 HD23 HD12 ' A' ' 97' ' ' LEU . 93.3 mt -60.64 -38.41 84.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.13 -45.26 87.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.56 -41.52 98.41 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 77.5 mt -63.75 -42.59 97.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -62.98 -37.67 88.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.498 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -64.78 -46.03 83.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.382 -178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.49 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 34.7 tp -64.11 -42.47 96.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.412 178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -57.84 -41.1 81.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.158 178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.69 -40.71 79.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.61 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CE2' ' HG ' ' A' ' 100' ' ' LEU . 51.9 m-85 -76.33 -16.6 59.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.86 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.079 -175.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.45 119.73 11.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.894 0.378 . . . . 0.0 111.715 -174.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.94 160.22 26.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.716 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.32 -7.77 51.31 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.5 p -81.16 -8.29 59.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.88 0.372 . . . . 0.0 111.086 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.02 146.98 38.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.981 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.6 136.51 47.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.583 174.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.74 -51.74 17.96 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -88.64 104.32 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -73.02 163.09 28.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.474 -170.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -133.12 160.7 36.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.187 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -110.3 -28.52 8.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.131 174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.856 178.134 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.69 0.281 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m -77.26 1.96 17.06 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.946 -171.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.3 m -72.04 -27.6 62.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 177.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -57.27 -45.85 83.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.445 0.64 . . . . 0.0 109.635 174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.77 -35.53 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.712 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -59.34 -54.73 43.44 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.363 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 46.2 t -60.05 -36.95 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.258 -174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -66.87 -44.27 81.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.625 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.27 -30.01 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.501 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -74.93 -33.06 61.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.398 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 90.0 mt -64.68 -34.9 79.39 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.877 0.37 . . . . 0.0 110.036 174.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -78.12 -28.77 48.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.672 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -48.81 67.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.266 0.555 . . . . 0.0 109.723 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 51' ' ' LEU . 61.5 tp -61.35 -39.09 89.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.877 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -55.81 -45.77 78.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.347 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 19' ' ' ARG . . . -64.59 -40.88 96.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 8.9 tt -63.11 -49.05 75.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.191 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' GLN . 84.9 mt -62.33 -33.08 74.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.082 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 34.7 ttt85 -62.53 -53.88 48.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.945 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -61.53 -43.28 99.16 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.094 0.473 . . . . 0.0 110.961 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 91.0 m-70 -85.06 12.08 8.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.996 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 57.13 39.04 29.26 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.022 169.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -104.15 -7.19 20.35 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -91.36 91.1 7.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.838 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -113.09 168.3 9.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.122 0.487 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -80.75 -18.64 47.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.895 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -85.81 124.03 31.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.488 -178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -101.78 146.7 32.71 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.457 175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 28' ' ' GLU . 50.0 Cg_exo -55.28 165.04 3.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.416 2.744 . . . . 0.0 113.362 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 pt20 -57.55 142.97 76.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.746 -176.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 30' ' ' GLN . 38.0 Cg_exo -62.11 -26.88 78.41 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.807 2.338 . . . . 0.0 112.091 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -63.74 -24.18 67.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.052 0.453 . . . . 0.0 110.506 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -75.99 -29.51 58.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.936 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.487 ' HB2' ' CH2' ' A' ' 53' ' ' TRP . 40.8 t80 -76.9 -7.52 55.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.486 0.66 . . . . 0.0 110.045 -179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -83.2 -13.42 55.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.324 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.533 ' HB3' ' HB3' ' A' ' 43' ' ' ASP . 46.5 m -76.78 101.44 5.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.878 175.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -86.39 11.33 12.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.333 0.587 . . . . 0.0 110.595 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' OE1' ' HD2' ' A' ' 39' ' ' PRO . 1.1 tp-100 -62.32 143.09 95.83 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.47 171.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' HD2' ' OE1' ' A' ' 38' ' ' GLN . 70.9 Cg_exo -52.7 136.94 59.32 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.366 2.044 . . . . 0.0 110.884 171.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 53.3 m-85 61.17 10.3 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.569 0.543 . . . . 0.0 111.055 -176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 34' ' ' PHE . 8.5 m-85 55.19 35.63 25.26 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.468 0.651 . . . . 0.0 111.011 -178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.734 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 61.5 mtm -78.73 74.86 5.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.601 -178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' SER . 11.2 t70 -152.43 -64.39 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.772 -178.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.0 -43.45 62.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.95 0.405 . . . . 0.0 111.219 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.3 mtp -129.94 -174.77 3.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.633 177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.97 156.18 67.33 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -69.94 93.18 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.872 2.381 . . . . 0.0 112.455 -178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.3 tp -155.19 -62.77 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -72.75 -4.32 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -173.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CH2' HD13 ' A' ' 55' ' ' LEU . 84.9 t90 -59.12 -39.43 82.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.012 0.434 . . . . 0.0 110.096 175.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 HD23 ' A' ' 55' ' ' LEU . 45.0 tp -56.13 -40.17 73.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.661 -177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' HB3' HD13 ' A' ' 18' ' ' LEU . 18.4 pt20 -99.8 -38.47 8.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -174.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.487 ' CH2' ' HB2' ' A' ' 34' ' ' PHE . 22.9 t90 -84.64 -29.66 25.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.692 0.282 . . . . 0.0 111.671 -172.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -110.29 -58.01 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.464 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.557 HD23 HD12 ' A' ' 51' ' ' LEU . 31.5 tp -58.9 -55.31 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -171.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.618 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 67.6 mt -54.27 -57.13 19.77 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.618 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 32.8 Cg_exo -62.12 -36.67 68.54 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.755 1.637 . . . . 0.0 112.437 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -67.07 -43.94 81.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 89.2 mmm -72.9 -29.64 63.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.841 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -58.12 -44.74 87.93 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -60.84 -47.13 87.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.595 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tt -62.62 -44.05 97.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.107 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 59' ' ' MET . 85.1 mt -71.17 -39.56 71.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.534 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -74.35 -27.2 60.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.062 0.458 . . . . 0.0 110.275 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HG3' ' A' ' 67' ' ' GLN . 3.3 t-20 -79.55 -11.39 59.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.809 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 68.07 29.83 6.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.346 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 65' ' ' ASN . 26.7 mt-30 -76.96 154.49 82.91 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.81 134.62 47.81 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.531 2.154 . . . . 0.0 111.695 176.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.91 147.13 88.42 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.39 110.33 2.45 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.255 1.97 . . . . 0.0 111.274 171.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.64 -25.75 73.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.662 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.1 51.55 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.143 0.497 . . . . 0.0 110.547 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -106.57 121.97 45.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.654 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.25 115.98 4.83 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.385 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.92 -19.93 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.461 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -50.18 89.0 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.538 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 46.9 Cg_exo -57.84 -29.97 87.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 122.016 1.811 . . . . 0.0 112.924 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -83.03 -47.79 11.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.927 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 21.1 m-85 -65.62 -22.35 66.66 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.277 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.55 -37.59 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.318 0.58 . . . . 0.0 109.955 173.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.9 mtm -90.87 -36.92 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.52 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -64.65 -33.21 75.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.24 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 tp -101.87 121.92 43.01 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' OD1' ' A' ' 86' ' ' ASP . . . -53.14 135.78 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.694 -174.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 40.5 p -62.65 -28.18 69.74 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.446 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' HB1' ' A' ' 84' ' ' ALA . 7.4 p-10 -80.13 11.29 3.55 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 -179.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.49 90.85 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.24 -25.04 44.71 Favored 'Trans proline' 0 N--CA 1.479 0.639 0 C-N-CA 123.722 2.948 . . . . 0.0 114.13 -169.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.42 -11.16 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 111.349 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -64.0 -30.76 71.81 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.481 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.64 -35.34 77.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.868 -173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.85 -39.07 61.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 63.3 mt -66.4 -47.83 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.153 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 97' ' ' LEU . 97.6 mt -61.54 -31.2 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.654 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.4 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.128 0.489 . . . . 0.0 111.117 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.01 -26.03 64.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.013 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 82.5 mt -71.88 -38.0 70.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.285 176.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 41.8 mt-10 -55.22 -43.44 74.5 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 174.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.721 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 63.6 mttp -64.19 -51.57 63.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.964 178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' HG ' ' HE2' ' A' ' 104' ' ' PHE . 34.9 tp -57.15 -55.56 33.19 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.357 -177.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -56.62 -39.43 73.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.071 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.49 -16.39 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.625 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 90.6 mt -82.76 -34.03 27.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 110.572 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.419 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 97.0 m-85 -73.35 -24.98 60.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.469 . . . . 0.0 110.457 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.61 15.69 22.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.486 176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.28 -41.69 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -98.72 140.78 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 0.0 110.708 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.03 23.02 10.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.679 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.9 p -133.09 29.63 4.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.622 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.0 mt -48.56 131.49 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.761 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -61.22 144.86 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.616 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -113.64 158.28 21.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.484 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -68.58 -40.78 80.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 0.0 110.54 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -118.11 112.99 20.92 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -85.4 162.22 19.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.217 0.532 . . . . 0.0 111.9 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -126.3 123.71 38.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.081 171.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 43.1 m80 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.422 -173.79 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 41.23 46.79 2.79 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.698 0.624 . . . . 0.0 112.44 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' ' 107' ' ' ASP . 40.1 m -64.59 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.671 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' HD22 ' A' ' 63' ' ' LEU . 54.0 m80 -65.69 -37.68 87.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.326 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.58 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 15.2 t70 -74.52 -37.98 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -58.18 -46.04 86.45 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.503 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.597 HG13 HD11 ' A' ' 100' ' ' LEU . 97.1 t -62.57 -41.42 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -59.54 -44.22 93.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.241 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 83.0 mt -63.29 -35.44 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 10' ' ' GLN . 1.1 mp0 -74.9 -29.48 61.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 178.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD22 ' HA ' ' A' ' 56' ' ' ILE . 94.8 mt -64.39 -42.9 95.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -66.0 -31.28 72.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.659 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.71 75.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.222 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD13 HD11 ' A' ' 51' ' ' LEU . 89.6 mt -59.17 -44.64 92.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.135 0.493 . . . . 0.0 110.499 175.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 -52.83 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.608 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -63.72 -41.86 98.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.562 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.61 -50.17 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.109 0.48 . . . . 0.0 110.003 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.702 HD13 HE21 ' A' ' 52' ' ' GLN . 67.2 mt -70.71 -33.13 70.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.211 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -61.98 -43.37 98.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 15.5 mm-40 -72.22 -20.75 61.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.227 0.537 . . . . 0.0 110.484 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -104.22 25.54 9.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.83 175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.42 -94.22 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.68 -1.145 . . . . 0.0 112.003 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 1.007 ' HB3' HE22 ' A' ' 52' ' ' GLN . 8.2 m-70 32.01 -94.34 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.894 0.878 . . . . 0.0 113.109 -174.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.4 t-105 21.96 -89.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.731 1.612 . . . . 0.0 114.106 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.611 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 27.6 ttt180 -85.11 98.87 10.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 110.985 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -59.58 146.44 40.74 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.647 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.26 -47.13 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.551 . . . . 0.0 109.725 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -122.82 104.19 36.41 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.149 177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -67.93 102.15 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 110.817 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.704 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 14.1 mm100 -64.83 118.09 45.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 30' ' ' GLN . 17.7 Cg_endo -59.52 -30.02 91.42 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.787 2.325 . . . . 0.0 112.528 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 59.3 t60 -71.03 -17.15 62.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.241 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -59.41 -47.24 86.22 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 120.78 0.324 . . . . 0.0 110.286 178.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -82.07 -13.04 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.006 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' HB2' ' HA ' ' A' ' 32' ' ' HIS . 94.7 m-20 -82.56 -26.35 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.576 0.227 . . . . 0.0 110.665 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -79.71 78.05 6.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 165.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 m -80.63 68.65 6.92 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 122.404 1.097 . . . . 0.0 111.429 -166.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.77 163.11 19.08 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 113.978 -1.465 . . . . 0.0 108.929 168.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.41 -29.22 67.4 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.459 2.106 . . . . 0.0 112.929 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.868 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 17.4 m-85 -120.19 1.89 10.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.339 -179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 57.09 37.32 28.53 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.254 0.55 . . . . 0.0 110.89 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.868 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 55.9 mtm -73.1 -17.17 61.43 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.143 -171.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -81.38 -9.38 59.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.039 0.447 . . . . 0.0 110.657 -175.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.601 HG21 ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -95.37 -41.64 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.057 0.456 . . . . 0.0 110.939 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 11.4 ttp -164.4 -178.07 5.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.2 pm0 -67.25 143.26 97.41 Favored Pre-proline 0 C--O 1.235 0.314 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.567 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HG3' ' HG2' ' A' ' 42' ' ' MET . 18.8 Cg_exo -66.74 83.03 0.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.791 2.327 . . . . 0.0 111.997 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD13 HD21 ' A' ' 83' ' ' LEU . 63.4 tp -138.72 -49.96 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.053 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.4 -25.52 67.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.462 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.448 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 68.4 t90 -58.92 -33.07 70.15 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.555 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD11 HD13 ' A' ' 14' ' ' LEU . 55.5 tp -58.14 -35.48 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.382 0.61 . . . . 0.0 109.62 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 1.007 HE22 ' HB3' ' A' ' 23' ' ' HIS . 49.3 mt-30 -89.82 150.26 22.32 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.02 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.611 ' HZ2' ' HA ' ' A' ' 25' ' ' ARG . 81.2 m95 70.91 -39.81 0.46 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.199 0.599 . . . . 0.0 112.589 173.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -97.62 -71.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD23 HD12 ' A' ' 51' ' ' LEU . 37.2 tp -55.48 -55.58 30.15 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -168.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.58 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 1.9 mp -54.53 -59.2 10.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.777 -178.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.3 Cg_exo -61.59 -37.48 69.28 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.967 1.778 . . . . 0.0 112.982 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 58' ' ' ARG . 17.2 ttt85 -67.82 -32.53 73.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.959 0.409 . . . . 0.0 110.867 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.9 mmt -78.35 -25.51 46.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.537 175.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 34.8 m-70 -60.14 -40.44 89.83 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -55.99 -46.31 78.72 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.297 0.57 . . . . 0.0 110.226 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 67' ' ' GLN . 56.8 tp -61.84 -33.29 73.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.149 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' MET . 54.8 mt -85.22 -47.12 10.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.498 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -70.75 -28.48 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.534 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -82.29 -3.16 54.73 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt 57.43 65.43 1.35 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.754 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.612 ' HB2' HD12 ' A' ' 62' ' ' LEU . 44.1 mt-30 -112.84 160.58 30.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.143 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 67' ' ' GLN . 40.6 Cg_endo -68.68 140.91 48.27 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.278 1.985 . . . . 0.0 110.894 174.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 107' ' ' ASP . 77.5 mt -82.58 142.0 45.64 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.07 101.78 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.287 1.991 . . . . 0.0 111.182 174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 104' ' ' PHE . . . -63.79 -13.34 51.49 Favored Glycine 0 N--CA 1.453 -0.198 0 CA-C-N 115.895 -0.593 . . . . 0.0 113.342 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.21 25.02 11.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.781 0.324 . . . . 0.0 111.207 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -81.02 119.21 23.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' OD2' ' A' ' 101' ' ' ASP . . . -147.78 111.68 5.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.496 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.13 -15.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.185 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -62.62 -48.0 87.03 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.859 -178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 75.4 Cg_exo -53.57 -35.87 78.58 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 122.131 1.887 . . . . 0.0 112.531 175.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.7 -40.59 48.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.417 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.505 ' HA ' ' HB3' ' A' ' 82' ' ' ALA . 1.9 m-85 -62.78 -27.45 69.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.85 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -36.55 69.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.023 0.44 . . . . 0.0 110.207 175.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.1 mtm -87.06 -37.07 17.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.354 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -61.39 -36.53 80.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.704 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 48' ' ' LEU . 89.9 mt -87.81 -11.68 47.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 60.71 -167.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.607 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 p -101.01 -19.29 15.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.964 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.91 -19.15 60.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.102 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -100.52 100.71 12.86 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.85 -28.62 50.77 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.026 2.484 . . . . 0.0 113.505 -170.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -76.02 9.81 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 111.274 -176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -65.68 -33.48 75.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.837 178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.29 -48.01 74.71 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.738 -175.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.21 -48.16 82.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 42.2 mt -66.94 -46.67 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.978 -177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 79.6 mt -63.58 -43.21 97.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.376 -178.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.16 -47.56 80.91 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.644 0.259 . . . . 0.0 110.953 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -70.76 -36.04 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.272 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 30.4 mt -61.9 -43.77 98.16 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.694 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 48.8 mt-10 -61.68 -32.1 72.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.662 0.267 . . . . 0.0 110.863 178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -66.09 -49.06 68.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.847 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 103' ' ' LEU . 34.1 tp -65.43 -40.15 92.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.0 110.189 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD2' ' HA ' ' A' ' 74' ' ' ALA . 14.0 t70 -57.78 -34.65 69.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.29 -21.38 56.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.626 HD12 HD12 ' A' ' 100' ' ' LEU . 97.3 mt -74.2 -37.21 63.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.484 ' O ' ' HA2' ' A' ' 71' ' ' GLY . 87.2 m-85 -70.88 -27.52 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.172 175.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.42 -8.05 59.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.472 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -87.96 -46.39 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.269 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.561 ' HB3' ' HB2' ' A' ' 69' ' ' LEU . 12.7 t70 -82.42 84.65 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.618 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -125.21 140.7 52.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.9 t -81.63 140.67 34.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.139 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.61 -27.0 68.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.409 0.623 . . . . 0.0 109.924 175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.428 ' OE1' ' HA ' ' A' ' 114' ' ' HIS . 41.7 tt0 -106.88 107.35 18.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -67.05 -34.71 78.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.292 -174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -111.73 81.86 1.52 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' HA ' ' OE1' ' A' ' 111' ' ' GLU . 76.9 t60 -92.45 115.84 28.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.208 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -87.49 168.91 12.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.295 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -84.58 -14.39 48.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.065 0.46 . . . . 0.0 110.137 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.445 176.184 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 120.832 0.348 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -54.05 -33.31 57.06 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -170.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG23 ' A' ' 7' ' ' VAL . 35.2 m -55.71 -30.03 60.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 111.835 -178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.18 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.632 -176.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -83.17 -29.98 28.17 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.631 -178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -62.67 -36.25 82.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.274 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG22 ' HB3' ' A' ' 103' ' ' LEU . 61.0 t -63.76 -34.69 69.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.248 177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -63.61 -38.82 92.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.029 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.48 -39.45 94.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.345 178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' A' ' 100' ' ' LEU . 18.8 tm0? -68.61 -36.27 78.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.999 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 7' ' ' VAL . 84.6 mt -58.93 -37.43 76.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 110.703 176.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.12 -32.12 72.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.375 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.26 96.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.083 174.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 HD22 ' A' ' 100' ' ' LEU . 96.2 mt -65.1 -38.24 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 175.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.86 -45.77 89.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.185 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -69.17 -34.04 74.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.919 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 93' ' ' ILE . 1.5 tp -61.94 -48.88 78.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.889 0.376 . . . . 0.0 110.521 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.21 -27.69 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 110.227 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 16' ' ' ALA . 32.5 ttt-85 -66.17 -51.88 53.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.138 175.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 50.4 mt-10 -63.51 -47.05 83.3 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -86.11 13.54 7.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.336 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 51.17 36.13 15.0 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 170.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.0 11.38 31.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -96.99 101.52 13.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.507 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.59 ' HB2' HE22 ' A' ' 52' ' ' GLN . 85.0 mtt180 -68.39 165.88 17.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.131 0.491 . . . . 0.0 110.828 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -109.12 6.89 25.3 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 169.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' H ' ' HB3' ' A' ' 25' ' ' ARG . 7.1 m-20 -69.56 169.32 12.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.342 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' HG3' ' NE2' ' A' ' 30' ' ' GLN . 8.5 pt-20 -103.42 142.51 24.73 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.633 175.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 96.9 Cg_endo -84.93 145.86 10.13 Favored 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.381 2.054 . . . . 0.0 111.721 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' NE2' ' HG3' ' A' ' 28' ' ' GLU . 27.8 mp0 -111.15 144.95 31.48 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -50.97 -33.6 42.85 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.449 2.766 . . . . 0.0 113.444 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.625 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 60.7 t60 -63.92 -30.51 71.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.12 -21.44 64.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.186 0.517 . . . . 0.0 110.017 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 98.4 m-85 -97.79 5.11 49.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.78 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.625 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 9.7 m120 -82.45 -19.36 39.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.808 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -76.18 91.15 3.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -73.4 -9.75 59.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.662 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.56 140.31 92.47 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.453 174.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 42' ' ' MET . 89.3 Cg_exo -47.03 136.69 17.58 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.773 2.315 . . . . 0.0 112.586 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.25 -1.86 2.59 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.305 0.642 . . . . 0.0 112.208 177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 34' ' ' PHE . 8.1 m-85 56.04 36.52 27.52 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.353 0.597 . . . . 0.0 110.232 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' PRO . 42.2 mtt -51.69 -32.88 31.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.723 -1.126 . . . . 0.0 112.591 -172.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -66.79 -54.9 17.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 p -100.99 -23.07 14.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -116.59 152.85 33.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.877 0.37 . . . . 0.0 110.762 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' OE1' ' HD2' ' A' ' 47' ' ' PRO . 4.7 tp10 -79.58 130.52 67.69 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.439 ' HD2' ' OE1' ' A' ' 46' ' ' GLU . 7.7 Cg_endo -50.17 -40.62 51.26 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.017 2.478 . . . . 0.0 112.515 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.22 -14.48 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.464 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -110.06 -1.85 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.108 0.48 . . . . 0.0 110.488 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.582 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 86.1 t90 -65.9 -31.19 71.97 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.301 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.64 -31.96 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.092 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.59 HE22 ' HB2' ' A' ' 25' ' ' ARG . 47.5 tt0 -72.06 -70.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.5 -171.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -91.4 -9.97 42.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -170.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -110.27 -67.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.779 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 59' ' ' MET . 66.4 tp -50.89 -66.57 0.36 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -171.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.6 ' HB ' ' HD3' ' A' ' 57' ' ' PRO . 76.4 mt -58.26 -55.06 49.46 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 31.8 Cg_exo -59.45 -44.02 35.8 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.97 1.78 . . . . 0.0 112.798 -179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -43.37 97.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.985 0.421 . . . . 0.0 110.659 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.583 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 21.2 mmt -69.43 -27.19 65.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.424 ' HD2' ' O ' ' A' ' 56' ' ' ILE . 8.6 m-70 -59.63 -43.59 93.78 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.286 174.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -44.3 95.75 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.649 175.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.27 -47.12 86.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 59' ' ' MET . 66.4 mt -75.32 -41.2 57.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.92 -175.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -60.23 -41.09 92.4 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.471 0.653 . . . . 0.0 109.921 177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . 8.8 t-20 -71.86 -11.38 60.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.197 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.1 mttp 61.77 35.2 16.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.349 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' A' ' 65' ' ' ASN . 11.0 mm100 -75.05 138.62 72.56 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.015 177.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -55.39 133.18 56.62 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.426 2.084 . . . . 0.0 111.03 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' PHE . 63.6 mt -66.33 152.38 94.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.835 -175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.52 -25.01 56.29 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.456 2.77 . . . . 0.0 113.673 -174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.7 -5.3 70.17 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.981 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.56 86.33 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.106 0.479 . . . . 0.0 109.856 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 62.6 t80 -134.58 86.17 2.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.253 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.35 103.08 11.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.705 -178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.4 ' O ' ' HD1' ' A' ' 79' ' ' TYR . 35.2 m -106.52 -13.85 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.941 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . -53.19 -53.25 57.95 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.517 -178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 76' ' ' ALA . 11.6 Cg_endo -55.68 -34.55 90.91 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 122.272 1.982 . . . . 0.0 112.753 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -72.85 -47.27 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.449 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' HD1' ' O ' ' A' ' 75' ' ' VAL . 39.3 m-85 -66.42 -27.45 67.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.93 -35.34 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.253 0.549 . . . . 0.0 110.263 175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 44.9 mtm -90.11 -35.08 15.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.813 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.14 -35.04 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.438 -176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 38.3 tp -88.55 -3.96 58.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.038 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 83' ' ' LEU . . . 74.84 133.08 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.2 -175.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 p -66.26 -28.9 69.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.07 -21.7 63.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.519 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -56.13 117.18 14.88 Favored Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.116 -175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -70.3 139.79 39.16 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 122.529 2.152 . . . . 0.0 111.962 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 67.5 37.18 3.51 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.816 0.698 . . . . 0.0 110.32 -178.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -83.86 -23.08 31.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.648 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.36 -48.11 77.49 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 -174.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.28 -41.44 75.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.446 . . . . 0.0 111.202 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 17' ' ' LEU . 52.4 mt -69.31 -48.78 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.707 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 86.9 mt -69.26 -36.67 77.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.32 -177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.07 -44.9 94.42 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.822 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -67.06 -31.83 72.6 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.969 178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 97.2 mt -68.39 -38.3 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.618 0.247 . . . . 0.0 110.369 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 55.6 mt-10 -69.76 -35.14 74.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.98 0.419 . . . . 0.0 110.098 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.519 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 5.0 ttmp? -65.1 -46.88 79.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.02 176.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 36.8 tp -61.71 -41.25 97.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.129 177.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.37 -46.78 79.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.855 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.4 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.977 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 7' ' ' VAL . 86.1 mt -63.73 -49.1 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.655 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HA ' HD13 ' A' ' 69' ' ' LEU . 27.5 m-85 -65.14 -32.09 73.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.81 -20.77 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.69 -42.66 50.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.213 -176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.412 ' HB3' HD12 ' A' ' 69' ' ' LEU . 31.4 t70 -79.73 104.85 10.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 110.073 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.17 140.82 34.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.114 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 p -75.29 -16.88 60.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.748 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.3 mt -93.45 112.26 24.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.22 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -83.08 -41.76 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.302 0.573 . . . . 0.0 109.701 176.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -87.76 138.97 30.99 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.04 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -127.8 -176.59 3.82 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -86.62 -32.61 20.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.862 0.363 . . . . 0.0 110.846 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -88.24 -19.23 27.1 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.089 0.471 . . . . 0.0 110.221 177.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -135.73 103.86 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.174 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.2 m80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.383 -0.817 . . . . 0.0 109.432 177.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 mtm . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.255 0.55 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.0 p -97.48 177.58 5.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.306 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 7' ' ' VAL . 28.0 m -63.4 -34.72 78.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.225 0.536 . . . . 0.0 110.049 175.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HA ' HD22 ' A' ' 63' ' ' LEU . 31.5 m170 -62.64 -34.11 76.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.337 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.09 -45.3 81.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 110.107 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.2 -37.47 87.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.082 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 56.2 t -65.46 -38.66 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.208 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -62.59 -42.67 99.7 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.01 0.433 . . . . 0.0 110.397 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.36 -40.93 94.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.111 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.6 -40.81 79.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.801 175.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.804 ' HB3' HG23 ' A' ' 56' ' ' ILE . 98.2 mt -59.37 -47.63 84.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.63 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -65.28 -35.1 79.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.88 84.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.527 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.98 -40.49 95.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.073 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 56' ' ' ILE . 27.2 tt0 -57.43 -48.23 79.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.225 176.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -62.45 -41.62 98.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' A' ' 21' ' ' HIS . 10.2 tt -60.33 -47.99 83.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.52 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.25 -34.21 77.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -67.08 -34.78 78.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.208 176.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 48.8 mt-10 -57.81 -41.96 83.28 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.11 0.481 . . . . 0.0 110.469 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' A' ' 17' ' ' LEU . 89.3 m-70 -89.9 12.92 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.523 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 57.09 33.69 23.73 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.399 -0.818 . . . . 0.0 113.148 172.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -92.45 -13.64 29.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.968 0.413 . . . . 0.0 110.374 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -66.53 124.09 21.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.396 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -118.94 139.31 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.984 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -80.51 84.38 6.13 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -99.4 -168.38 1.6 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.967 -174.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -132.28 135.81 27.03 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.55 95.88 0.55 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.418 2.078 . . . . 0.0 112.035 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 25.0 mt-30 -92.78 143.87 27.67 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.543 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -62.21 -23.9 75.76 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.296 1.997 . . . . 0.0 111.584 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.432 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 19.9 t60 -92.47 17.63 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.28 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.726 ' HG3' ' HB2' ' A' ' 30' ' ' GLN . 97.8 mt-30 -106.64 -36.78 6.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 169.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.39 6.26 44.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.012 -173.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 6.2 p-10 -82.91 -14.05 54.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.092 0.472 . . . . 0.0 110.025 178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 t -73.13 110.48 7.45 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -96.72 20.15 11.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.618 0.723 . . . . 0.0 110.1 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG2' ' HD2' ' A' ' 39' ' ' PRO . 5.6 tt0 -80.26 143.47 56.36 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 38' ' ' GLN . 57.4 Cg_exo -54.13 -27.06 44.66 Favored 'Trans proline' 0 N--CA 1.476 0.448 0 C-N-CA 122.981 2.454 . . . . 0.0 113.868 -172.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.749 ' HB2' ' HG3' ' A' ' 42' ' ' MET . 75.9 m-85 -116.77 12.65 14.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.829 -0.169 . . . . 0.0 110.703 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 50.81 37.86 18.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.236 0.541 . . . . 0.0 111.101 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.749 ' HG3' ' HB2' ' A' ' 40' ' ' PHE . 77.0 mtm -77.36 10.59 2.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.744 -174.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -88.43 -43.86 11.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.403 0.621 . . . . 0.0 109.616 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 p -103.5 -29.41 11.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.882 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.34 170.08 11.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 0.0 111.323 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -91.75 146.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.764 -178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.38 75.11 0.76 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.385 2.723 . . . . 0.0 112.792 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 83' ' ' LEU . 29.5 tp 177.22 -54.08 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.416 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -85.28 3.53 39.16 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.736 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 55' ' ' LEU . 44.8 t90 -67.32 -26.8 66.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.031 172.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 56' ' ' ILE . 94.5 mt -55.11 -42.64 73.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.588 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -95.22 154.72 17.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.319 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.486 ' O ' ' HG2' ' A' ' 57' ' ' PRO . 52.2 t-105 72.72 -39.5 0.45 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.657 175.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.54 -68.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.633 177.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 50' ' ' TRP . 67.5 tp -54.91 -52.25 63.51 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -173.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.804 HG23 ' HB3' ' A' ' 11' ' ' LEU . 95.5 mt -56.39 -59.93 10.59 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-O 119.068 -0.492 . . . . 0.0 111.912 -178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 52.6 Cg_exo -58.62 -41.14 67.11 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 121.81 1.673 . . . . 0.0 112.783 177.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -60.39 -40.74 91.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 110.679 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.418 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.0 mmt -73.47 -28.89 62.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.869 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 11.9 m-70 -56.89 -40.31 76.01 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.063 0.458 . . . . 0.0 109.883 173.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.77 -49.67 44.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.454 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.71 -45.4 85.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.216 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 4' ' ' HIS . 82.7 mt -67.06 -32.83 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.09 -32.56 72.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.639 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -86.11 9.88 16.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.29 33.48 22.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.93 0.492 . . . . 0.0 111.748 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 31.9 mm-40 -68.77 139.87 91.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 67' ' ' GLN . 2.9 Cg_exo -74.98 25.14 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.161 2.574 . . . . 0.0 112.484 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 104' ' ' PHE . 79.4 mt 65.57 169.99 0.1 Allowed Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 69' ' ' LEU . 53.1 Cg_exo -58.16 -31.17 92.71 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.144 1.896 . . . . 0.0 112.466 175.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.95 1.95 80.63 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.65 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -154.95 32.48 0.4 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.551 0.691 . . . . 0.0 109.227 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 70' ' ' PRO . 45.1 t80 -93.73 113.74 25.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.484 -174.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.96 109.99 6.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.984 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' HB ' ' CE2' ' A' ' 79' ' ' TYR . 16.6 m -98.34 -26.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -57.81 -47.06 99.59 Favored Pre-proline 0 CA--C 1.537 0.458 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 76.1 Cg_exo -51.89 -40.58 66.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 122.244 1.963 . . . . 0.0 112.987 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -74.68 -45.21 45.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.547 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CE2' ' HB ' ' A' ' 75' ' ' VAL . 45.2 m-85 -66.89 -25.01 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.101 -0.239 . . . . 0.0 111.342 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.65 -39.73 89.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.999 0.428 . . . . 0.0 110.191 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 47.5 mtm -83.65 -33.72 25.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.413 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 79' ' ' TYR . . . -71.23 -50.09 36.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.53 -176.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 48' ' ' LEU . 79.0 mt -73.4 143.25 46.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.002 0.43 . . . . 0.0 110.72 -177.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.92 174.8 5.84 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.494 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 5.9 t -71.35 -5.67 34.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.726 0.774 . . . . 0.0 110.679 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -50.31 -51.5 44.7 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.624 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 26.7 t60 -109.06 120.39 45.97 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.813 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' HIS . 15.1 Cg_exo -68.6 175.7 6.77 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.972 2.448 . . . . 0.0 111.363 174.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 65.23 21.75 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 85' ' ' THR . 4.7 ptp85 -84.49 -25.61 28.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.838 -177.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.81 76.67 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.81 -40.2 94.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.314 178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 59.0 mt -69.59 -47.02 73.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.217 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 98.4 mt -61.02 -39.98 91.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.275 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.95 99.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.798 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.1 -36.43 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.825 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 95.3 mt -65.3 -43.22 91.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.034 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -57.0 -35.35 69.11 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.836 175.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 99' ' ' LYS . 31.0 ttmt -70.5 -41.56 72.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.932 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.4 tp -65.4 -49.91 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.935 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.44 -36.28 66.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.787 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.85 71.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.27 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' HB3' HG22 ' A' ' 7' ' ' VAL . 90.1 mt -72.59 -33.23 66.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.873 0.368 . . . . 0.0 110.506 178.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HA ' HD13 ' A' ' 69' ' ' LEU . 73.9 m-85 -74.68 -8.03 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.72 -3.62 24.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.27 -56.35 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.348 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.481 ' HB2' HG21 ' A' ' 3' ' ' THR . 5.8 t70 -76.11 99.07 4.53 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 174.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.97 140.66 29.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.667 -168.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -91.29 134.89 34.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.706 170.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.0 tp -66.63 -32.99 74.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.056 0.455 . . . . 0.0 110.055 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -92.52 146.89 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 114' ' ' HIS . 21.9 m-70 -106.73 134.91 49.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.033 -172.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.6 m80 -88.32 -22.85 23.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 166.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 112' ' ' HIS . 25.5 m170 -122.74 124.83 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -57.72 -38.7 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -167.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -113.32 -84.99 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.465 178.879 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.0 mtp . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.6 0.238 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -74.33 -18.58 60.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 107' ' ' ASP . 28.0 m -61.24 -45.17 95.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.53 0.205 . . . . 0.0 111.387 -177.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -61.1 -47.66 85.29 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.261 0.553 . . . . 0.0 110.017 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.2 m-20 -64.47 -30.25 71.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.273 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -67.24 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 58.3 t -64.0 -41.62 93.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -58.61 -45.1 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.38 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 5' ' ' ASP . 89.2 mt -65.65 -36.28 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.953 179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -70.15 -34.54 73.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.859 0.361 . . . . 0.0 110.311 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.802 ' HB3' HG23 ' A' ' 56' ' ' ILE . 96.1 mt -60.67 -37.55 81.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.147 175.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -65.94 -40.16 91.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.206 176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.46 97.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.491 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.95 -46.87 87.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.501 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -47.47 80.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 176.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . -58.39 -42.92 88.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tt -61.08 -45.99 92.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.248 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.41 -35.82 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.292 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.773 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 46.0 mt-10 -56.86 -43.95 81.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.126 0.488 . . . . 0.0 111.213 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.19 12.4 31.0 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 50.59 45.27 26.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.308 176.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -102.33 12.82 36.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.255 175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -112.7 117.34 31.96 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -113.9 135.22 54.22 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.795 ' HA ' ' HZ2' ' A' ' 53' ' ' TRP . 5.5 t30 -76.78 98.64 4.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -136.85 153.63 50.72 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 -176.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -108.25 111.33 61.78 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.71 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' HB2' ' CE2' ' A' ' 34' ' ' PHE . 14.9 Cg_exo -68.38 110.65 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.52 2.147 . . . . 0.0 111.042 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . 50.9 mt-30 -69.69 156.96 90.78 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.4 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -48.52 -39.04 36.66 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.205 2.603 . . . . 0.0 113.399 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 10.5 t60 -61.62 -33.35 73.77 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.753 0.311 . . . . 0.0 110.972 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' HB3' ' SD ' ' A' ' 45' ' ' MET . 7.7 mp0 -61.83 -36.4 81.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.304 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 29' ' ' PRO . 74.4 m-85 -85.5 -14.3 46.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.432 -178.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.698 ' OD1' ' HA ' ' A' ' 32' ' ' HIS . 12.6 m120 -63.82 -18.01 63.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.792 -0.186 . . . . 0.0 111.027 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.582 ' HB3' ' OG1' ' A' ' 44' ' ' THR . 17.3 p -60.4 -40.89 92.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 m 50.23 63.88 2.02 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.463 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 41' ' ' PHE . 25.8 mt-30 -130.22 153.21 81.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.32 -0.855 . . . . 0.0 108.896 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -45.2 -49.32 10.24 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.339 2.693 . . . . 0.0 113.473 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' HB2' ' HE3' ' A' ' 42' ' ' MET . 53.4 m-85 -111.35 8.69 21.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.217 178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 38' ' ' GLN . 99.1 m-85 51.65 37.84 21.06 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.633 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HE3' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -73.2 51.99 0.33 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.119 -173.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -150.93 -67.64 0.19 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.582 ' OG1' ' HB3' ' A' ' 36' ' ' SER . 11.3 m -80.13 -24.04 40.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.547 -176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.42 ' SD ' ' HB3' ' A' ' 33' ' ' GLN . 73.7 mtm -128.19 162.39 27.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.789 179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.723 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 mm-40 -74.84 136.14 73.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.445 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' GLU . 38.6 Cg_exo -58.06 -22.2 54.45 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.68 2.253 . . . . 0.0 112.195 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.1 tp -74.12 -35.59 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 46' ' ' GLU . 12.6 mm-40 -70.45 -22.19 62.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.257 0.551 . . . . 0.0 110.042 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.678 ' HH2' ' HZ ' ' A' ' 73' ' ' PHE . 57.9 t90 -58.89 -33.06 70.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.41 -38.31 90.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.386 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.99 -72.32 0.28 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.083 -170.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.795 ' HZ2' ' HA ' ' A' ' 26' ' ' ASN . 95.4 m95 -99.39 5.21 46.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -168.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 36.3 t -118.08 -73.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.297 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD13 ' CH2' ' A' ' 50' ' ' TRP . 61.7 tp -50.84 -58.74 5.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.802 HG23 ' HB3' ' A' ' 11' ' ' LEU . 69.6 mt -61.84 -53.68 58.03 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 56' ' ' ILE . 48.4 Cg_exo -57.69 -39.62 86.26 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 121.85 1.7 . . . . 0.0 112.268 175.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -61.29 -52.3 65.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.701 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.586 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 23.8 mmt -66.61 -31.07 71.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.004 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.37 -43.78 75.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.975 0.416 . . . . 0.0 110.573 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.69 -35.53 57.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.559 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD21 ' HD3' ' A' ' 70' ' ' PRO . 13.4 tp -56.54 -43.13 79.57 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.377 0.608 . . . . 0.0 110.359 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 59' ' ' MET . 49.3 mt -69.7 -37.34 76.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.278 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.82 -35.74 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.672 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' HB2' ' HG2' ' A' ' 67' ' ' GLN . 12.1 m120 -71.56 -15.51 62.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.601 177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 63.3 36.68 11.56 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.074 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 69' ' ' LEU . 17.5 mm100 -73.82 153.06 89.17 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.415 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.67 22.9 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.401 2.734 . . . . 0.0 112.958 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 107' ' ' ASP . 39.7 mt 63.88 163.62 0.12 Allowed Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 123.633 0.773 . . . . 0.0 112.607 174.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.411 ' HD3' HD21 ' A' ' 62' ' ' LEU . 19.2 Cg_exo -66.24 -33.64 38.77 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.584 2.189 . . . . 0.0 111.841 177.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.07 -50.67 0.76 Allowed Glycine 0 C--O 1.226 -0.35 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.134 175.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -143.93 73.57 1.39 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.413 0.625 . . . . 0.0 109.812 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.678 ' HZ ' ' HH2' ' A' ' 50' ' ' TRP . 66.7 t80 -96.26 89.91 5.28 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.41 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.95 104.19 12.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.664 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG23 HD13 ' A' ' 97' ' ' LEU . 16.3 m -97.83 -3.71 9.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.396 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 77' ' ' PRO . . . -59.2 -49.27 93.77 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.817 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 76' ' ' ALA . 38.5 Cg_exo -61.79 -32.14 85.86 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.724 1.616 . . . . 0.0 111.874 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -69.66 -45.74 67.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.541 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.83 -13.05 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.684 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.67 -11.8 60.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.461 0.648 . . . . 0.0 109.453 173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 41.7 mtm -111.44 -42.98 3.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.17 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.32 79.12 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.091 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -105.1 157.37 17.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.13 146.45 54.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.832 0.349 . . . . 0.0 110.849 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.9 p -77.85 -7.07 56.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.437 0.637 . . . . 0.0 110.755 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -81.22 168.99 17.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.509 -0.769 . . . . 0.0 108.95 175.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.8 t60 69.0 87.39 0.11 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-O 121.051 0.453 . . . . 0.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -56.82 -15.99 18.5 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 123.921 3.081 . . . . 0.0 114.159 -173.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -61.39 -18.53 59.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.097 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.3 ptt85 -61.47 -22.74 65.34 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.71 75.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.279 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.52 -42.02 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.928 0.394 . . . . 0.0 110.216 178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 56.1 mt -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.386 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 85.0 mt -62.61 -43.02 99.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.011 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.29 83.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.856 0.36 . . . . 0.0 110.859 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.48 -41.69 93.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 109.798 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 93' ' ' ILE . 88.5 mt -66.46 -35.63 80.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.024 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 94' ' ' LEU . 45.9 mt-10 -65.67 -36.61 84.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.946 177.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.685 ' O ' ' HG ' ' A' ' 103' ' ' LEU . 65.8 mttm -62.63 -45.2 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' HG ' ' CE2' ' A' ' 104' ' ' PHE . 20.5 tp -58.58 -43.7 89.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.187 178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -55.56 -46.97 77.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.531 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.12 76.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.134 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 99' ' ' LYS . 62.2 mt -69.9 -39.32 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.59 ' HA ' HD13 ' A' ' 69' ' ' LEU . 50.6 m-85 -70.42 -18.59 63.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.279 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -91.76 -6.78 51.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.553 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -88.4 -41.26 12.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.232 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.599 ' HB3' HD12 ' A' ' 69' ' ' LEU . 23.2 t70 -88.56 115.12 25.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.007 0.432 . . . . 0.0 110.65 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -163.89 178.4 7.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.76 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 t -96.93 178.3 5.33 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.1 mt -81.84 -9.75 59.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.38 0.61 . . . . 0.0 109.67 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -95.56 165.41 12.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.433 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -89.16 -0.62 57.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.804 -171.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -127.11 140.47 52.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -71.0 -38.12 72.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.651 -177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -148.06 127.64 13.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.685 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.86 -175.01 5.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.083 0.468 . . . . 0.0 110.994 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 m80 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.811 -0.614 . . . . 0.0 109.879 179.699 . . . . . . . . 0 0 . 1 stop_ save_