data_5u3h_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 5u3h _Structure_validation_residue.Date_analyzed 2017-02-03 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 ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 CA--C 1.562 1.442 0 CA-C-O 119.128 -0.463 . . . . 70.13 110.061 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 70.44 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 73.14 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 74.44 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 71.51 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 74.33 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.44 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 74.45 110.254 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 73.52 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 72.25 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 74.21 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 65.51 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 73.43 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 74.41 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 71.21 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 74.55 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HG2' HG11 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 73.4 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 64.22 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 73.51 107.957 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 65.53 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 73.52 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 71.12 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 74.35 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 75.22 110.538 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 61.02 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 62.21 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 74.24 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 73.14 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 73.33 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 72.52 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 74.15 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 75.44 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 73.22 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 73.43 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 64.42 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.33 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 CA--C 1.558 1.262 0 CA-C-O 119.115 -0.469 . . . . 70.13 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.63 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 70.44 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 73.14 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 74.44 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 54.2 tp60 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 71.51 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 74.33 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.44 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.542 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 74.45 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 46' ' ' VAL . 79.1 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 73.52 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 72.25 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 74.21 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 65.51 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 73.43 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 74.41 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.514 HG23 HG13 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 71.21 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 74.55 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' HG21 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 73.4 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 64.22 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 73.51 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 65.53 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 73.52 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 71.12 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 74.35 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 75.22 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 61.02 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 62.21 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 74.24 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 73.14 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 73.33 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 72.52 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 74.15 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 75.44 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 73.22 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 73.43 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 64.42 111.26 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.33 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 111.798 0.296 . . . . 70.13 111.798 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 70.44 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.538 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 73.14 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 74.44 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 71.51 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 74.33 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.44 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 74.45 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.58 HE21 ' HA ' ' A' ' 45' ' ' ASN . 83.7 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 73.52 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 72.25 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 74.21 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HA ' HE21 ' A' ' 38' ' ' GLN . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 65.51 110.122 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 73.43 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.557 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 74.41 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 71.21 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 74.55 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 73.4 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 64.22 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 73.51 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 65.53 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD11 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 73.52 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 71.12 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 74.35 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HD1' ' A' ' 70' ' ' HIS . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' HD1' ' HA2' ' A' ' 67' ' ' GLY . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 75.22 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 61.02 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 62.21 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 74.24 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 73.14 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 73.33 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 72.52 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 74.15 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.402 ' NE2' HG23 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 75.44 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 73.22 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 73.43 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.402 HG23 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 64.42 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.33 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' HG23 ' A' ' 47' ' ' THR . 9.4 mp . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 119.577 -0.249 . . . . 70.13 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 70.44 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 73.14 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 74.44 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 71.51 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 74.33 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.44 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 74.45 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 73.52 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 72.25 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.421 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 74.21 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 65.51 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 73.43 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.596 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 74.41 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 71.21 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 74.55 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.571 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 31.0 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 73.4 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 64.22 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 73.51 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 65.53 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 73.52 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 71.12 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 74.35 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' HG3' HD22 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 75.22 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 61.02 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 62.21 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 74.24 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 73.14 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 73.33 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 72.52 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.597 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 74.15 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 75.44 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 73.22 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.417 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 73.43 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 64.42 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.33 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 119.093 -0.48 . . . . 70.13 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.611 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 70.44 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 73.14 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 74.44 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HG2' ' HE2' ' A' ' 74' ' ' TYR . 54.8 tp60 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 71.51 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 74.33 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 HE21 ' A' ' 32' ' ' GLN . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.44 111.459 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.529 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 74.45 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 73.52 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 72.25 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 74.21 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 65.51 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 73.43 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 25' ' ' PRO . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 74.41 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 71.21 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 74.55 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 73.4 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 64.22 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 73.51 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 65.53 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 73.52 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 71.12 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 HD23 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 74.35 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 75.22 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 61.02 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 62.21 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 74.24 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 73.14 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 73.33 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 72.52 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 74.15 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 75.44 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 73.22 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.571 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 73.43 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 64.42 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.33 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.612 0.226 . . . . 70.13 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 70.44 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 73.14 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 74.44 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 71.51 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 74.33 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.44 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' HB2' HG23 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 74.45 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 73.52 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 HE21 ' A' ' 68' ' ' GLN . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 72.25 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 74.21 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 65.51 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 73.43 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.538 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 74.41 111.776 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 71.21 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 74.55 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 73.4 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 64.22 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 73.51 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 65.53 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 73.52 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 71.12 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 74.35 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.53 HE21 HD23 ' A' ' 40' ' ' LEU . 1.8 mp0 -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 75.22 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 61.02 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 62.21 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 74.24 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 73.14 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 73.33 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 72.52 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 74.15 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 75.44 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 73.22 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 73.43 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 64.42 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.33 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.554 1.106 0 CA-C-O 119.176 -0.44 . . . . 70.13 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 70.44 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 73.14 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 74.44 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 71.51 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 74.33 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.44 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.602 ' HB2' HG22 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 74.45 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HG3' HG21 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 73.52 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 72.25 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 74.21 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 65.51 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 73.43 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 74.41 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 71.21 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 74.55 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.589 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 73.4 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 64.22 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 73.51 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 65.53 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 73.52 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.514 ' HG1' HD23 ' A' ' 78' ' ' LEU . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 71.12 110.135 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 74.35 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 75.22 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 61.02 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 62.21 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 74.24 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 73.14 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD23 ' HG1' ' A' ' 63' ' ' THR . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 73.33 110.648 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 72.52 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 74.15 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 75.44 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 34' ' ' ALA . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 73.22 112.672 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.464 ' HA ' HG21 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 73.43 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 64.42 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.33 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.761 -0.638 . . . . 70.13 111.039 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 70.44 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 73.14 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 74.44 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 71.51 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 74.33 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.44 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.697 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 74.45 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 73.52 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 72.25 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.481 ' HG1' HG12 ' A' ' 46' ' ' VAL . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 74.21 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 65.51 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 73.43 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.633 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.581 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.581 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 74.41 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 71.21 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 74.55 111.709 -173.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 73.4 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 64.22 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 73.51 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 65.53 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 73.52 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 71.12 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 74.35 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' A' ' 71' ' ' GLN . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' A' ' 68' ' ' GLN . 43.2 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 75.22 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 61.02 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 62.21 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 74.24 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.476 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 73.14 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 73.33 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 72.52 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 74.15 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 75.44 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 73.22 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 73.43 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 64.42 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.33 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 119.11 -0.471 . . . . 70.13 109.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.672 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 70.44 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 73.14 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 74.44 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 71.51 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 74.33 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.44 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 74.45 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 73.52 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 72.25 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 74.21 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 65.51 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 73.43 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.672 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 74.41 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 71.21 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 74.55 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 73.4 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 64.22 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 73.51 109.17 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 65.53 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 73.52 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.429 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 71.12 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 74.35 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 75.22 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 61.02 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 62.21 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 74.24 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 73.14 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 73.33 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 72.52 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 74.15 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 75.44 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 73.22 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.47 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 73.43 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 64.42 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.33 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.559 1.307 0 CA-C-O 119.401 -0.333 . . . . 70.13 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.675 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 70.44 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 73.14 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 74.44 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.482 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 71.51 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 74.33 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.44 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.568 ' HB2' HG22 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 74.45 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.729 ' HG3' HG21 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 73.52 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 55' ' ' GLN . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 72.25 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 74.21 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 65.51 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 73.43 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.675 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 74.41 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 71.21 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 74.55 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG11 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 73.4 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 64.22 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' HD11 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 73.51 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 65.53 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 66' ' ' THR . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 73.52 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 71.12 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 74.35 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.533 ' HB3' HD21 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 75.22 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 61.02 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 62.21 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 74.24 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 73.14 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 73.33 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 72.52 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 74.15 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 75.44 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 73.22 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.496 ' HA ' HG23 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 73.43 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 64.42 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.33 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' A' ' 47' ' ' THR . 9.6 mp . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 119.376 -0.345 . . . . 70.13 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 70.44 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 73.14 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 74.44 110.05 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HD23 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 71.51 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 74.33 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.44 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.558 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 74.45 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG3' HG23 ' A' ' 46' ' ' VAL . 78.5 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 73.52 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 72.25 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 74.21 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 65.51 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 73.43 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 74.41 111.092 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 71.21 109.16 166.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 74.55 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 73.4 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 64.22 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 73.51 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 65.53 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 73.52 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 71.12 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 74.35 109.933 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 75.22 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 61.02 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 62.21 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 74.24 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 73.14 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 73.33 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 72.52 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 74.15 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.426 ' HD1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 75.44 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 73.22 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.426 HG21 ' HD1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 64.42 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.33 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 70.44 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 73.14 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 74.44 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 71.51 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 74.33 110.534 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.44 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 74.45 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 73.52 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 72.25 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 74.21 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 65.51 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 73.43 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.554 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 74.41 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 71.21 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 74.55 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 73.4 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 64.22 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 73.51 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 65.53 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 73.52 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 71.12 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 74.35 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 75.22 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 61.02 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 62.21 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 74.24 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HB2' ' HG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 73.14 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 73.33 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 72.52 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 74.15 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.557 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 75.44 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 73.22 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 73.43 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 64.42 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.33 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.45 ' HG1' ' HB2' ' A' ' 75' ' ' GLU . 15.0 m . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.563 1.449 0 CA-C-O 119.714 -0.184 . . . . 70.13 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.571 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 70.44 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 73.14 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 74.44 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 71.51 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 74.33 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.44 112.417 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.636 ' HB2' HG23 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 74.45 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.44 ' HG2' ' HG1' ' A' ' 43' ' ' THR . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 73.52 112.087 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 HD23 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 72.25 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.44 ' HG1' ' HG2' ' A' ' 38' ' ' GLN . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 74.21 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 65.51 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 73.43 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.546 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 74.41 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 71.21 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 74.55 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 73.4 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 64.22 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 73.51 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB2' HD23 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 65.53 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 73.52 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 71.12 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 74.35 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.651 ' HA2' ' HD1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' HG3' HD23 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.651 ' HD1' ' HA2' ' A' ' 67' ' ' GLY . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 75.22 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 61.02 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 62.21 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 74.24 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 73.14 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 73.33 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 72.52 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 74.15 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 75.44 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 73.22 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 73.43 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 64.42 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.471 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.33 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' THR . 9.4 tt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.778 -0.629 . . . . 70.13 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.684 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 70.44 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 73.14 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 74.44 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 71.51 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 74.33 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.44 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.464 ' HB2' HG23 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 74.45 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.632 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 73.52 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 72.25 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 74.21 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 65.51 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 73.43 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.684 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 74.41 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG11 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 71.21 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 74.55 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 73.4 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 64.22 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 73.51 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 65.53 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 73.52 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 71.12 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 74.35 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 75.22 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 61.02 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 62.21 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 74.24 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 73.14 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 73.33 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 72.52 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 74.15 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 75.44 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 73.22 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 73.43 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 64.42 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 74' ' ' TYR . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.33 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 119.516 -0.278 . . . . 70.13 110.368 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 70.44 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 73.14 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 74.44 110.614 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 71.51 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 74.33 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.44 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.54 ' HB2' HG23 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 74.45 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 73.52 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 72.25 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.462 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 74.21 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 65.51 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 73.43 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.456 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 74.41 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 71.21 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 74.55 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 73.4 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 64.22 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 73.51 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 65.53 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 73.52 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 71.12 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 74.35 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 75.22 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 61.02 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 62.21 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 74.24 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 73.14 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 73.33 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 72.52 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 74.15 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 75.44 109.392 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 73.22 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 73.43 110.42 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 64.42 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.33 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 118.677 -0.678 . . . . 70.13 109.655 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.607 ' HD2' HD13 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 70.44 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 73.14 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 74.44 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 71.51 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 74.33 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.44 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.522 ' HE1' HD12 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 74.45 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.656 ' HG3' HG21 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 73.52 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.707 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 72.25 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 74.21 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 65.51 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 73.43 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 74.41 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 71.21 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 74.55 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.806 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 73.4 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 64.22 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 73.51 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 65.53 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 73.52 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 71.12 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD12 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 74.35 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 75.22 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 61.02 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 62.21 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 74.24 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 73.14 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 73.33 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 72.52 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 74.15 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 75.44 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 73.22 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 73.43 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 64.42 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.33 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp . . . . . 0 CA--C 1.559 1.289 0 CA-C-O 119.507 -0.282 . . . . 70.13 111.426 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 70.44 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 73.14 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 74.44 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HD23 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 71.51 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 74.33 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.44 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.557 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 74.45 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 73.52 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HB2' HG22 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 72.25 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 74.21 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 65.51 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 73.43 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 74.41 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 71.21 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 74.55 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 73.4 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 64.22 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 73.51 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 65.53 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 73.52 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 71.12 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 74.35 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.2 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 68' ' ' GLN . 34.8 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 75.22 111.016 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 61.02 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 62.21 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 74.24 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 73.14 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 73.33 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 72.52 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 74.15 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.605 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 75.44 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 73.22 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 73.43 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 64.42 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.33 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.419 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 112.996 0.739 . . . . 70.13 112.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 70.44 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 73.14 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 74.44 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 71.51 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 74.33 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.44 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.488 ' HB2' HG22 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 74.45 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 73.52 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.747 ' HB3' HD23 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 72.25 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 74.21 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 65.51 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 38' ' ' GLN . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 73.43 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 74.41 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 71.21 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 74.55 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 73.4 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 64.22 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 73.51 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 65.53 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 73.52 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 71.12 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 74.35 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 12.0 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 75.22 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 61.02 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 62.21 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 74.24 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 73.14 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 73.33 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.472 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 72.52 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 74.15 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.514 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 75.44 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 73.22 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 73.43 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 64.42 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.33 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 CA--C 1.563 1.47 0 CA-C-O 119.249 -0.405 . . . . 70.13 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 70.44 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 73.14 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.493 HG23 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 74.44 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 71.51 109.381 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 74.33 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.44 111.501 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.65 ' HB2' HG23 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 74.45 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 73.52 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 HD23 HE21 ' A' ' 68' ' ' GLN . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 72.25 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 74.21 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 65.51 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 73.43 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.506 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 74.41 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 71.21 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 74.55 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 73.4 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 64.22 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 73.51 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 65.53 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 73.52 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.45 ' HG1' HD13 ' A' ' 78' ' ' LEU . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 71.12 109.782 175.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 74.35 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.7 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 68' ' ' GLN . 47.5 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 75.22 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 61.02 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 62.21 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 74.24 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 73.14 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 HD13 ' HG1' ' A' ' 63' ' ' THR . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 73.33 111.091 176.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 72.52 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 74.15 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.637 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 75.44 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 73.22 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 73.43 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 64.42 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.33 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 119.017 -0.516 . . . . 70.13 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.628 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 70.44 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 73.14 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 74.44 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 71.51 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 74.33 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.44 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.474 ' HE1' HD12 ' A' ' 65' ' ' LEU . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 74.45 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 46' ' ' VAL . 80.4 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 73.52 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 72.25 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 74.21 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 65.51 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 73.43 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 74.41 110.925 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 71.21 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.655 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 74.55 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.655 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 73.4 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 64.22 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 73.51 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 65.53 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 73.52 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 71.12 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 74.35 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.447 HG23 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.5 mp0 -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 75.22 110.311 176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 61.02 112.129 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 62.21 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 74.24 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 73.14 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 73.33 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 72.52 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 74.15 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 75.44 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 73.22 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' HZ ' HG23 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 73.43 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 64.42 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.33 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.846 -0.419 . . . . 73.33 112.657 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m 57.27 42.89 24.5 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.457 1.103 . . . . 75.33 110.457 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp 53.27 90.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.986 1.314 . . . . 75.43 109.838 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -69.65 110.5 4.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.363 -0.835 . . . . 74.04 109.369 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -78.45 -4.61 49.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.928 0.891 . . . . 74.11 111.808 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.81 -40.85 61.15 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.938 1.295 . . . . 73.44 112.783 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.53 32.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.118 0.567 . . . . 71.4 111.241 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -78.49 17.24 0.69 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.576 0.954 . . . . 72.24 113.576 -168.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -76.48 77.66 3.19 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 118.769 0.713 . . . . 74.51 110.779 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -135.04 91.18 2.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.848 1.259 . . . . 60.42 108.211 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -82.5 -65.18 1.04 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.081 -0.711 . . . . 75.23 109.081 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 55.87 84.02 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.644 1.177 . . . . 71.1 112.523 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 21' ' ' GLU . 13.4 p -93.99 112.19 56.14 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.315 -0.624 . . . . 62.13 109.315 172.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.68 -40.75 72.73 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.902 3.068 . . . . 73.14 113.685 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.78 162.85 40.36 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.639 0.776 . . . . 65.32 109.069 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.79 85.86 0.12 Allowed 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.601 -0.889 . . . . 61.31 108.601 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.9 -9.69 23.83 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.887 -1.506 . . . . 75.54 111.188 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -162.44 122.01 1.43 Allowed Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 107.242 -1.392 . . . . 75.24 107.242 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.39 88.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.687 2.925 . . . . 75.12 113.603 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.39 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.757 1.223 . . . . 70.24 108.896 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB2' HG23 ' A' ' 13' ' ' THR . 49.0 mt-10 -109.81 159.41 17.23 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.371 1.068 . . . . 75.41 109.456 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.39 21.29 11.87 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.887 0.875 . . . . 71.35 110.499 -168.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.497 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 2.2 m-20 -114.73 6.12 15.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.022 1.329 . . . . 72.01 110.33 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.39 120.76 67.91 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 122.872 0.469 . . . . 70.13 110.061 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 70.44 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 73.14 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 74.44 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 71.51 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 74.33 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.44 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 74.45 110.254 174.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 73.52 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 72.25 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 74.21 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 65.51 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 73.43 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.497 ' HB ' ' HB3' ' A' ' 23' ' ' ASP . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.493 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 74.41 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 71.21 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 74.55 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HG2' HG11 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 73.4 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 64.22 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 73.51 107.957 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 65.53 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 73.52 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 71.12 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 74.35 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 75.22 110.538 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 61.02 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 62.21 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 74.24 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 73.14 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 73.33 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 72.52 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 74.15 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 75.44 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 73.22 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 73.43 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 64.42 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.33 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m -76.24 139.24 41.07 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.63 109.14 4.16 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.328 -0.99 . . . . 74.25 108.328 167.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 101' ' ' VAL . 30.2 m -62.97 161.12 32.6 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.456 0.702 . . . . 74.42 110.264 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.28 -26.39 20.34 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.75 2.3 . . . . 73.0 114.641 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 99' ' ' VAL . 51.9 t 59.49 78.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.759 1.224 . . . . 70.03 110.084 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -37.2 78.79 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.502 -0.772 . . . . 64.41 110.531 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.82 100.59 28.41 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 124.011 0.924 . . . . 71.22 108.624 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.5 93.03 0.11 Allowed 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.614 2.209 . . . . 74.21 111.499 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -60.33 -41.26 93.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.997 0.919 . . . . 74.35 110.558 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 p -155.34 85.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 124.56 1.144 . . . . 63.42 109.154 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -158.77 97.8 1.45 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.265 -0.88 . . . . 75.43 109.349 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.7 m -90.59 116.42 66.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.57 0.748 . . . . 75.31 109.868 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -86.46 172.99 6.69 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.022 2.481 . . . . 74.14 112.574 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.52 128.1 34.94 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.105 0.562 . . . . 73.22 110.999 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 123.413 0.685 . . . . 74.13 110.469 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.687 -0.565 . . . . 73.33 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -79.07 119.56 22.38 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.753 0.821 . . . . 75.33 110.406 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -76.05 102.89 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.549 0.69 . . . . 75.43 109.46 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.02 135.43 43.1 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.073 -0.714 . . . . 74.04 109.073 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -82.05 -10.56 59.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.293 -0.412 . . . . 74.11 110.121 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -54.28 -55.0 32.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.747 1.219 . . . . 73.44 113.323 -168.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.27 71.58 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.583 0.552 . . . . 71.4 111.859 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.02 -2.4 50.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.585 0.587 . . . . 72.24 112.585 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.82 87.87 0.36 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.687 0.795 . . . . 74.51 110.805 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 51.61 47.41 24.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.877 1.271 . . . . 60.42 109.827 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' HG2' HG23 ' A' ' 13' ' ' THR . 78.2 ttt180 -60.94 99.53 0.09 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.437 -1.256 . . . . 75.23 111.895 -167.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -86.58 81.46 8.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.693 -0.685 . . . . 71.1 110.76 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 HG23 ' HG2' ' A' ' 11' ' ' ARG . 5.1 t -156.42 86.01 3.04 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 123.811 0.844 . . . . 62.13 109.518 169.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.76 -168.99 0.65 Allowed 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.566 2.177 . . . . 73.14 111.457 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.05 126.94 29.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.731 0.412 . . . . 65.32 111.769 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.76 -62.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.355 -1.35 . . . . 61.31 107.355 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -128.48 152.92 47.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.93 -1.032 . . . . 75.54 108.89 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 54.95 59.28 10.77 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.626 1.171 . . . . 75.24 112.207 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -82.07 101.52 1.14 Allowed 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.747 2.298 . . . . 75.12 110.47 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.37 -49.1 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.604 1.162 . . . . 70.24 109.287 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.45 150.19 39.98 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 107.659 -1.238 . . . . 75.41 107.659 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 77.86 8.06 2.55 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.643 1.577 . . . . 71.35 111.324 -169.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 18.8 m-20 -105.37 19.33 20.76 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.206 1.003 . . . . 72.01 110.658 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.78 138.17 33.2 Favored Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.949 0.9 . . . . 70.13 111.756 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.63 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 70.44 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 73.14 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 74.44 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 54.2 tp60 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 71.51 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 74.33 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.44 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.542 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 74.45 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 46' ' ' VAL . 79.1 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 73.52 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 72.25 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 74.21 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 65.51 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 73.43 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HG3' ' HB2' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 74.41 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.514 HG23 HG13 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 71.21 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.543 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 74.55 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.543 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' HG21 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 73.4 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 64.22 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 73.51 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 65.53 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 73.52 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 71.12 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 74.35 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 75.22 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 61.02 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 62.21 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 74.24 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 73.14 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 73.33 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 72.52 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 74.15 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 75.44 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 73.22 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.713 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 73.43 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 64.42 111.26 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.33 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m -86.28 141.91 28.92 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -73.53 112.21 9.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.983 -0.747 . . . . 74.25 108.983 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.78 140.27 97.79 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.435 0.694 . . . . 74.42 110.492 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.55 -32.55 83.32 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.262 2.641 . . . . 73.0 113.741 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.03 132.88 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 116.054 -0.521 . . . . 70.03 110.048 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -158.39 166.88 31.17 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.437 0.695 . . . . 64.41 110.615 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -90.41 149.11 40.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 108.195 -1.039 . . . . 71.22 108.195 165.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.54 80.73 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.432 2.088 . . . . 74.21 112.654 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -116.31 153.25 32.3 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.957 0.903 . . . . 74.35 109.024 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.87 107.41 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-O 121.678 0.752 . . . . 63.42 110.748 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -131.11 123.94 29.68 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.091 -1.077 . . . . 75.43 108.091 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 p -81.82 112.6 36.13 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.264 0.626 . . . . 75.31 110.635 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.81 52.51 3.78 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.957 2.438 . . . . 74.14 110.938 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.15 71.02 10.94 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.152 -0.931 . . . . 73.22 110.201 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.458 1.103 . . . . 74.13 109.199 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.079 0 CA-C-O 119.983 -0.343 . . . . 73.33 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -93.86 62.97 3.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.771 0.796 . . . . 75.33 110.877 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.77 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.795 -0.817 . . . . 75.43 108.795 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -75.81 82.83 2.75 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 109.219 -0.66 . . . . 74.04 109.219 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.89 -22.63 66.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.964 -1.016 . . . . 74.11 110.108 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -56.55 -17.64 9.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.07 1.348 . . . . 73.44 113.022 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.66 76.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.642 0.777 . . . . 71.4 111.471 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.65 86.71 2.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.985 0.914 . . . . 72.24 109.146 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -72.9 -45.39 58.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.012 0.925 . . . . 74.51 111.682 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 71.55 146.31 0.07 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.399 1.48 . . . . 60.42 111.8 -172.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -83.99 -20.85 32.11 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.55 0.74 . . . . 75.23 110.656 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.18 124.77 33.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.142 0.977 . . . . 71.1 108.568 170.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 t -69.45 122.52 85.88 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.846 0.858 . . . . 62.13 111.828 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -75.6 73.79 4.53 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.834 2.356 . . . . 73.14 112.647 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 56.58 -79.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.298 1.439 . . . . 65.32 112.871 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.53 -49.95 9.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.586 0.755 . . . . 61.31 110.615 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 60.85 -91.06 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.981 1.313 . . . . 75.54 111.655 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -103.13 154.19 37.8 Favored Pre-proline 0 N--CA 1.491 1.588 0 C-N-CA 123.542 0.737 . . . . 75.24 110.243 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.05 136.22 55.36 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.421 2.081 . . . . 75.12 110.354 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.22 21.7 5.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.709 1.204 . . . . 70.24 111.868 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.32 -56.9 2.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.9 -0.778 . . . . 75.41 108.9 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.13 25.95 9.93 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.993 0.917 . . . . 71.35 110.53 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 6.2 m-20 -109.55 23.91 13.79 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.8 . . . . 72.01 110.483 -172.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp -56.76 141.15 74.61 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 122.994 0.517 . . . . 70.13 111.798 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 70.44 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.538 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 73.14 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 74.44 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 71.51 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 74.33 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.44 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 74.45 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.58 HE21 ' HA ' ' A' ' 45' ' ' ASN . 83.7 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 73.52 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 72.25 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.473 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 74.21 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' HA ' HE21 ' A' ' 38' ' ' GLN . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 65.51 110.122 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 73.43 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.557 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 74.41 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 71.21 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.576 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 74.55 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 73.4 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 64.22 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 73.51 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 65.53 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD11 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 73.52 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 71.12 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 74.35 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.473 ' HA2' ' HD1' ' A' ' 70' ' ' HIS . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' HD1' ' HA2' ' A' ' 67' ' ' GLY . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 75.22 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 61.02 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 62.21 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 74.24 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 73.14 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 73.33 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 72.52 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 74.15 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.402 ' NE2' HG23 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 75.44 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 73.22 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 73.43 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.402 HG23 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 64.42 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.33 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m -77.24 133.36 38.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.61 131.3 36.66 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.252 0.621 . . . . 74.25 110.161 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.39 154.61 93.47 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 115.633 -0.712 . . . . 74.42 110.493 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.88 -13.71 39.26 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.063 1.842 . . . . 73.0 113.105 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.0 t 66.6 100.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.931 1.292 . . . . 70.03 110.933 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.5 101.1 4.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.031 0.532 . . . . 64.41 109.857 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -75.42 142.81 75.16 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.446 -0.797 . . . . 71.22 109.514 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -58.94 109.84 0.58 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.85 2.367 . . . . 74.21 111.021 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -59.77 123.47 17.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.174 0.59 . . . . 74.35 111.461 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.4 m -74.56 -9.29 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.696 0.798 . . . . 63.42 111.574 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 170.25 15.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.338 0.655 . . . . 75.43 110.253 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -141.35 115.12 6.91 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.259 0.624 . . . . 75.31 109.884 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.7 131.61 7.31 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.442 2.095 . . . . 74.14 111.492 169.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.25 -164.38 1.14 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.826 0.85 . . . . 73.22 109.843 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.89 1.276 . . . . 74.13 109.394 -174.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.668 -0.573 . . . . 73.33 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m -125.28 152.61 44.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.912 0.885 . . . . 75.33 108.725 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.35 122.11 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.765 0.426 . . . . 75.43 110.573 174.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -79.59 126.95 31.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.909 -0.587 . . . . 74.04 109.744 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -86.92 -37.66 17.42 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.954 0.902 . . . . 74.11 111.669 -171.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -17.01 61.12 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.369 0.668 . . . . 73.44 112.188 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.43 69.68 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.541 0.736 . . . . 71.4 111.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.7 88.11 1.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.222 -1.029 . . . . 72.24 108.222 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -155.5 138.39 15.35 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.403 -0.817 . . . . 74.51 109.829 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 163.27 20.51 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.122 0.487 . . . . 60.42 110.237 177.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.526 ' HG2' ' H ' ' A' ' 12' ' ' HIS . 49.4 ttt180 -148.71 -164.56 2.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.505 -1.295 . . . . 75.23 107.505 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 51.7 m80 71.65 173.22 0.31 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.367 1.067 . . . . 71.1 111.137 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -131.67 116.16 15.99 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 108.851 -0.796 . . . . 62.13 108.851 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.01 9.84 3.9 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.927 2.418 . . . . 73.14 112.42 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.78 79.26 0.86 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.432 0.693 . . . . 65.32 109.338 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' HE21 ' A' ' 54' ' ' GLN . . . -94.8 82.39 3.88 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.364 0.665 . . . . 61.31 109.78 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.24 142.82 56.79 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.057 -0.52 . . . . 75.54 110.716 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -72.84 110.96 9.53 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 124.22 0.95 . . . . 75.24 108.626 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -86.17 64.27 5.16 Favored 'Trans proline' 0 C--N 1.372 1.774 0 C-N-CA 123.176 2.584 . . . . 75.12 111.249 -173.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.4 -19.14 36.56 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.744 -1.117 . . . . 70.24 112.39 -173.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.76 -156.63 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.763 0.825 . . . . 75.41 111.332 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.64 55.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.735 0.814 . . . . 71.35 111.263 175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -97.35 10.79 38.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.177 0.991 . . . . 72.01 110.736 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' HG23 ' A' ' 47' ' ' THR . 9.4 mp -58.07 143.29 78.62 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.607 0.763 . . . . 70.13 110.38 -178.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 70.44 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 73.14 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 74.44 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 71.51 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 74.33 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.44 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 74.45 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG23 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 73.52 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 72.25 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.421 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 74.21 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 65.51 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 73.43 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.596 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 74.41 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 71.21 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 74.55 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.571 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 31.0 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 73.4 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 64.22 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 73.51 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 65.53 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 73.52 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 71.12 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 74.35 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.515 HG21 HD11 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' HG3' HD22 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 75.22 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 61.02 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 62.21 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 74.24 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 73.14 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 73.33 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 72.52 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.597 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 74.15 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 75.44 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 73.22 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.417 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 73.43 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 64.42 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.33 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m -61.49 140.88 58.01 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.94 135.83 57.72 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 123.63 0.581 . . . . 74.25 109.56 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.474 ' HB ' HG23 ' A' ' 101' ' ' VAL . 15.5 m -61.99 118.51 39.81 Favored Pre-proline 0 CA--C 1.557 1.213 0 O-C-N 123.565 0.54 . . . . 74.42 110.388 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.6 -11.33 29.56 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.529 2.153 . . . . 73.0 112.705 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.474 HG23 ' HB ' ' A' ' 99' ' ' VAL . 34.7 m -73.02 166.93 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.995 0.918 . . . . 70.03 111.266 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.54 116.76 11.25 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 109.379 -0.6 . . . . 64.41 109.379 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.41 HE21 HG21 ' A' ' 99' ' ' VAL . 24.4 mp0 -72.34 159.12 86.23 Favored Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 123.674 0.79 . . . . 71.22 110.385 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.29 133.22 55.87 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.627 2.218 . . . . 74.21 111.654 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -62.65 -42.31 99.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.531 0.732 . . . . 74.35 111.412 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.41 84.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.16 -0.927 . . . . 63.42 110.22 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -93.87 128.1 39.97 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.4 -0.963 . . . . 75.43 108.4 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -123.44 99.76 39.33 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.038 . . . . 75.31 108.474 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.48 90.09 0.08 OUTLIER 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 122.888 2.392 . . . . 74.14 111.628 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.93 90.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.152 -0.931 . . . . 73.22 109.024 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 74.13 110.08 -172.527 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.725 -0.55 . . . . 73.33 111.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 p -145.67 117.65 8.27 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.156 0.982 . . . . 75.33 109.12 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -104.37 26.48 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.779 0.832 . . . . 75.43 109.031 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.7 109.72 4.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.474 0.71 . . . . 74.04 109.216 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -67.89 -25.14 65.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.294 0.638 . . . . 74.11 111.691 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.78 -49.73 19.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.105 0.962 . . . . 73.44 111.35 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.63 -56.01 4.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.102 0.561 . . . . 71.4 110.099 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.73 107.76 17.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.347 -0.842 . . . . 72.24 108.751 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -148.58 15.75 0.99 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.312 0.645 . . . . 74.51 109.803 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 59.92 40.69 18.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.841 1.257 . . . . 60.42 111.707 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -75.32 134.0 41.13 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.978 -0.556 . . . . 75.23 111.546 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -137.25 152.0 49.35 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.597 1.159 . . . . 71.1 107.887 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -112.52 97.14 39.28 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.74 . . . . 62.13 110.543 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.46 173.81 11.16 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.775 2.316 . . . . 73.14 111.703 164.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -72.75 81.97 1.15 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.459 0.647 . . . . 65.32 109.399 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.61 -38.85 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.746 1.219 . . . . 61.31 108.679 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.38 -169.95 2.26 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.187 -0.915 . . . . 75.54 111.096 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -57.28 120.79 42.51 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.469 1.107 . . . . 75.24 111.266 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.54 83.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.729 2.953 . . . . 75.12 114.206 -173.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.84 -76.11 0.58 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.881 0.872 . . . . 70.24 110.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -77.51 -39.6 45.64 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.244 0.617 . . . . 75.41 109.698 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.41 70.56 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.405 -1.27 . . . . 71.35 113.279 -172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.9 t70 -96.26 19.56 11.72 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.057 -0.519 . . . . 72.01 110.525 -173.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp -56.34 127.58 71.61 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 123.645 0.778 . . . . 70.13 110.309 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.611 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 70.44 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 73.14 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 74.44 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HG2' ' HE2' ' A' ' 74' ' ' TYR . 54.8 tp60 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 71.51 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 74.33 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 HE21 ' A' ' 32' ' ' GLN . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.44 111.459 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.529 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 74.45 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.515 ' HG3' HG23 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 73.52 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 72.25 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 74.21 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 65.51 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 73.43 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.522 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 25' ' ' PRO . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 74.41 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 71.21 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 74.55 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 73.4 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 64.22 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 73.51 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 65.53 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 73.52 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 71.12 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 HD23 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 74.35 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 75.22 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 61.02 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 62.21 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 74.24 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 73.14 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 73.33 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.419 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 72.52 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 74.15 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.571 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 75.44 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 73.22 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.571 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 73.43 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 64.42 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.33 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -63.96 141.43 58.77 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.12 107.06 2.17 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.015 -0.735 . . . . 74.25 109.015 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 HG23 HG21 ' A' ' 101' ' ' VAL . 35.4 m -64.1 149.39 94.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 123.801 0.688 . . . . 74.42 109.974 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -64.88 14.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.463 2.775 . . . . 73.0 116.201 -170.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.484 HG21 HG23 ' A' ' 99' ' ' VAL . 15.1 m -74.41 -20.74 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.044 0.537 . . . . 70.03 111.05 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -170.66 1.31 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.265 0.626 . . . . 64.41 111.609 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -127.78 159.44 66.29 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 123.744 0.818 . . . . 71.22 110.087 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.65 90.34 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.301 2.001 . . . . 74.21 111.846 172.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -116.09 127.69 55.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.958 -1.127 . . . . 74.35 107.958 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.24 51.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.369 0.667 . . . . 63.42 112.035 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -73.74 -24.5 59.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.155 0.582 . . . . 75.43 110.087 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.0 p -72.8 147.14 88.73 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.831 0.852 . . . . 75.31 109.922 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -55.66 -31.92 81.56 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.28 2.653 . . . . 74.14 113.892 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.17 74.58 0.42 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.646 1.179 . . . . 73.22 108.909 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.764 -1.107 . . . . 74.13 111.052 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 CA-C-O 120.381 -0.121 . . . . 73.33 112.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.5 m -81.9 122.84 28.25 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.596 0.758 . . . . 75.33 110.181 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -78.91 159.65 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 122.748 0.419 . . . . 75.43 110.246 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -81.16 78.44 7.95 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.046 -0.724 . . . . 74.04 109.046 176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' HA ' HD23 ' A' ' 8' ' ' LEU . 30.4 p90 -84.12 -25.9 29.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.947 -1.024 . . . . 74.11 110.119 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.56 -16.34 61.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.558 0.743 . . . . 73.44 110.404 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.87 92.48 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.632 -0.507 . . . . 71.4 109.632 168.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 mm? -75.64 -38.94 58.47 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.687 -0.688 . . . . 72.24 110.052 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -94.3 83.96 4.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.247 0.619 . . . . 74.51 110.661 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' H ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -104.35 101.89 11.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.492 -0.929 . . . . 60.42 108.492 175.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.8 42.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.999 0.92 . . . . 75.23 109.965 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.07 146.84 24.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.798 0.332 . . . . 71.1 110.656 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -113.45 142.49 27.64 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 107.103 -1.443 . . . . 62.13 107.103 168.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HG2' ' HB3' ' A' ' 49' ' ' GLU . 78.8 Cg_exo -52.35 147.18 29.66 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.823 2.349 . . . . 73.14 113.282 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.89 -53.17 59.49 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.531 0.732 . . . . 65.32 110.954 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.91 -39.46 14.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.415 0.686 . . . . 61.31 111.601 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 58.68 -157.89 0.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.27 1.028 . . . . 75.54 112.122 -174.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 51.0 m-80 69.33 179.36 0.05 OUTLIER Pre-proline 0 C--N 1.37 1.46 0 C-N-CA 124.036 0.935 . . . . 75.24 110.918 171.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 18' ' ' ASN . 96.1 Cg_endo -77.04 46.51 1.97 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.915 1.744 . . . . 75.12 113.163 166.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.92 2.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.806 0.442 . . . . 70.24 110.597 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.34 -86.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.291 0.636 . . . . 75.41 110.257 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -175.25 68.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.944 0.878 . . . . 71.35 109.154 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.39 19.42 18.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.95 -1.023 . . . . 72.01 110.934 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mp -57.81 137.84 82.97 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 70.13 111.612 -169.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.538 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 70.44 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 73.14 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 74.44 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 71.51 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 74.33 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.44 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' HB2' HG23 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 74.45 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 73.52 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD23 HE21 ' A' ' 68' ' ' GLN . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 72.25 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 74.21 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 65.51 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 73.43 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.538 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HB3' ' HG2' ' A' ' 14' ' ' PRO . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 74.41 111.776 -172.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 71.21 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 74.55 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 73.4 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 64.22 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 73.51 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 65.53 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 73.52 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 71.12 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 74.35 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.53 HE21 HD23 ' A' ' 40' ' ' LEU . 1.8 mp0 -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 75.22 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 61.02 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 62.21 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 74.24 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 73.14 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 73.33 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 72.52 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 74.15 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 75.44 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 73.22 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 73.43 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 64.42 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.33 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -72.76 130.53 40.71 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.26 103.35 1.23 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.099 -1.074 . . . . 74.25 108.099 172.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.72 153.42 87.26 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.327 0.651 . . . . 74.42 112.075 -169.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.77 -40.2 7.87 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 124.472 3.448 . . . . 73.0 115.504 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.5 99.95 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 121.528 0.68 . . . . 70.03 109.369 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 43.2 tt0 -60.4 150.77 29.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.056 1.342 . . . . 64.41 112.343 -170.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.599 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 38.7 mt-30 64.38 52.76 1.24 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.902 1.281 . . . . 71.22 110.844 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 16.5 Cg_exo -67.8 -43.36 5.35 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 123.119 2.546 . . . . 74.21 111.717 -173.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -113.85 28.89 8.41 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.757 1.223 . . . . 74.35 109.643 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 65.52 102.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.259 1.424 . . . . 63.42 110.06 -168.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.513 ' HB3' ' HG2' ' A' ' 103' ' ' GLN . 28.7 t60 -73.45 99.85 3.09 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.732 -1.21 . . . . 75.43 107.732 171.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -66.3 149.22 98.1 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 115.316 -0.856 . . . . 75.31 110.203 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.84 120.31 8.14 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 121.767 1.645 . . . . 74.14 109.188 167.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.96 -50.69 68.3 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.948 0.78 . . . . 73.22 111.583 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.364 1.066 . . . . 74.13 109.156 175.399 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 CA-C-O 119.692 -0.504 . . . . 73.33 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 p -87.61 164.85 15.85 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.497 0.648 . . . . 75.33 111.382 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.38 94.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.557 0.694 . . . . 75.43 110.811 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.18 132.34 48.23 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.486 -0.779 . . . . 74.04 110.201 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -61.72 -32.61 72.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.29 1.036 . . . . 74.11 112.627 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -87.82 -33.68 18.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.074 0.549 . . . . 73.44 111.363 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.96 65.08 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.014 0.525 . . . . 71.4 110.713 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -76.14 -39.25 55.48 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.948 0.899 . . . . 72.24 109.796 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HB2' ' HZ2' ' A' ' 9' ' ' LYS . 4.7 ttmp? -76.84 99.25 5.1 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.346 -0.843 . . . . 74.51 110.941 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -157.18 -38.42 0.07 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.936 -0.575 . . . . 60.42 110.206 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 61.07 32.21 19.76 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.297 0.998 . . . . 75.23 110.46 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -62.24 102.32 0.29 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.805 -1.089 . . . . 71.1 108.207 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 m -51.57 111.5 2.45 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 124.792 1.308 . . . . 62.13 110.66 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.59 46.61 1.96 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.183 2.588 . . . . 73.14 111.813 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.84 74.49 1.61 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.182 0.993 . . . . 65.32 108.359 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.47 -174.6 0.6 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.204 -1.362 . . . . 61.31 109.536 -168.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.47 54.6 0.66 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 122.157 0.979 . . . . 75.54 109.486 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.33 170.34 15.16 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 114.62 -1.173 . . . . 75.24 110.608 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.6 84.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 122.685 2.257 . . . . 75.12 111.949 167.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.27 -66.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.23 1.412 . . . . 70.24 108.304 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -74.09 -24.51 59.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.076 0.769 . . . . 75.41 113.076 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.92 57.42 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.37 0.605 . . . . 71.35 110.506 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.63 27.66 5.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.037 1.335 . . . . 72.01 109.403 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.78 150.99 34.33 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 123.602 0.761 . . . . 70.13 111.519 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 70.44 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 73.14 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 74.44 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 HG13 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 71.51 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 74.33 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.44 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.602 ' HB2' HG22 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 74.45 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HG3' HG21 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 73.52 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 72.25 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 74.21 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 65.51 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.602 HG22 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 73.43 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.641 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 74.41 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 71.21 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.589 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 74.55 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.589 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 73.4 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 64.22 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 73.51 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 65.53 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 73.52 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.514 ' HG1' HD23 ' A' ' 78' ' ' LEU . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 71.12 110.135 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 74.35 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 75.22 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 61.02 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 62.21 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 74.24 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 73.14 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD23 ' HG1' ' A' ' 63' ' ' THR . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 73.33 110.648 174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 72.52 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 74.15 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.521 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 75.44 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 34' ' ' ALA . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 73.22 112.672 -169.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.464 ' HA ' HG21 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 73.43 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 64.42 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.33 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m -77.56 136.19 38.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.25 122.96 25.8 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 107.782 -1.192 . . . . 74.25 107.782 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.36 153.56 92.44 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.25 0.62 . . . . 74.42 110.637 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.34 25.36 0.58 Allowed 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.66 2.24 . . . . 73.0 113.475 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.5 t 66.17 107.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.933 0 C-N-CA 125.789 1.636 . . . . 70.03 110.788 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -71.54 -40.46 70.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.687 0.795 . . . . 64.41 109.75 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.35 154.33 72.09 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 124.505 1.122 . . . . 71.22 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.55 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.388 2.644 0 C-N-CA 123.878 3.052 . . . . 74.21 114.139 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.426 ' HB3' ' HD2' ' A' ' 107' ' ' HIS . 59.3 t80 -90.92 -176.68 4.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.506 1.123 . . . . 74.35 108.581 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.49 82.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.748 0.819 . . . . 63.42 110.145 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.426 ' HD2' ' HB3' ' A' ' 105' ' ' PHE . 94.0 m-70 -145.3 156.69 43.96 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.385 1.474 . . . . 75.43 108.848 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.3 p -133.71 96.76 16.26 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.788 -0.449 . . . . 75.31 109.788 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.45 91.42 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.478 2.118 . . . . 74.14 111.739 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.33 175.36 5.65 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.697 -1.138 . . . . 73.22 110.148 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 119.156 -0.45 . . . . 74.13 110.291 176.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.081 -0.407 . . . . 73.33 112.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 m -144.72 100.88 3.58 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.956 0.903 . . . . 75.33 109.101 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.1 tt -71.98 139.12 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.37 -0.974 . . . . 75.43 108.37 169.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.46 87.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.346 0.658 . . . . 74.04 111.496 -172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -72.91 -32.75 65.54 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.712 -0.676 . . . . 74.11 109.334 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.29 -40.06 84.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.832 1.253 . . . . 73.44 111.126 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.8 78.65 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.537 0.523 . . . . 71.4 110.627 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp 68.28 -72.76 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.253 1.421 . . . . 72.24 111.757 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.27 98.04 5.96 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.313 -1.736 . . . . 74.51 106.313 175.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -66.43 128.19 35.23 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.584 -0.895 . . . . 60.42 108.584 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -143.4 145.3 32.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.007 0.432 . . . . 75.23 111.295 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -176.42 -175.73 0.7 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.397 1.479 . . . . 71.1 108.722 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -67.21 169.97 7.46 Favored Pre-proline 0 CA--C 1.568 1.638 0 C-N-CA 123.878 0.871 . . . . 62.13 112.229 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.51 -15.11 34.27 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 122.805 2.337 . . . . 73.14 113.878 171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.7 101.46 0.09 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.831 0.852 . . . . 65.32 111.17 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.21 -159.67 0.67 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.22 1.008 . . . . 61.31 109.135 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 10.0 mp0 -74.94 -176.29 2.87 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.213 0.605 . . . . 75.54 110.706 171.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.15 145.91 92.93 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 123.165 0.586 . . . . 75.24 110.99 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' A' ' 23' ' ' ASP . 77.8 Cg_exo -52.56 155.29 10.34 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 123.45 2.767 . . . . 75.12 113.134 172.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 79.59 -16.97 0.62 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.408 1.483 . . . . 70.24 113.214 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -103.83 -88.37 0.42 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.138 0.575 . . . . 75.41 110.662 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -88.49 6.94 35.36 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.062 0.458 . . . . 71.35 111.945 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 13.3 t70 -83.51 2.36 37.34 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.06 0.944 . . . . 72.01 110.17 175.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.0 tp -49.72 128.58 19.86 Favored Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.571 1.548 . . . . 70.13 111.039 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 70.44 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 73.14 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 74.44 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 71.51 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.612 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 74.33 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.44 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.697 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 74.45 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.679 ' HG3' HG23 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 73.52 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 72.25 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.481 ' HG1' HG12 ' A' ' 46' ' ' VAL . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 74.21 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 65.51 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 73.43 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.633 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.581 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.581 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 74.41 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 71.21 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 74.55 111.709 -173.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 73.4 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 64.22 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 73.51 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 65.53 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 73.52 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 71.12 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 74.35 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.472 ' HA ' HE21 ' A' ' 71' ' ' GLN . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' A' ' 68' ' ' GLN . 43.2 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 75.22 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 61.02 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 62.21 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 74.24 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 73.14 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 73.33 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 72.52 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 74.15 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 75.44 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 73.22 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 73.43 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 64.42 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 HD22 ' HB1' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.33 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -55.38 147.52 17.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.99 131.87 31.94 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.51 0.724 . . . . 74.25 109.845 171.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.4 t -61.64 113.36 8.05 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 124.599 1.187 . . . . 74.42 110.465 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.33 170.87 12.56 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.875 2.384 . . . . 73.0 111.878 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.3 t 73.84 -58.38 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.795 1.238 . . . . 70.03 110.659 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -78.76 26.11 0.25 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.11 0.964 . . . . 64.41 112.569 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.59 98.6 11.27 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.858 0.863 . . . . 71.22 108.777 172.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.38 26.22 0.56 Allowed 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.081 2.521 . . . . 74.21 112.681 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -70.62 93.43 0.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.751 0.82 . . . . 74.35 111.175 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 t 48.85 81.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.761 1.624 . . . . 63.42 113.39 166.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.69 -41.14 88.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.941 0.496 . . . . 75.43 111.177 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -112.63 95.6 33.27 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.249 -0.649 . . . . 75.31 109.249 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -84.36 8.65 4.51 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.696 2.264 . . . . 74.14 113.008 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.58 126.71 11.31 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.553 -0.906 . . . . 73.22 108.553 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.641 -0.874 . . . . 74.13 108.641 177.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.972 -0.451 . . . . 73.33 111.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 p -89.7 -17.85 27.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.516 0.726 . . . . 75.33 111.397 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm 56.36 88.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.578 1.151 . . . . 75.43 110.046 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.51 99.8 1.02 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.196 0.598 . . . . 74.04 109.895 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -73.5 -7.02 50.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.382 0.673 . . . . 74.11 112.684 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -85.89 -29.73 23.43 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.183 0.593 . . . . 73.44 109.904 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.86 71.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.791 0.837 . . . . 71.4 111.465 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.14 137.64 33.43 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.671 -0.863 . . . . 72.24 108.671 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -146.41 117.89 7.98 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.032 0.533 . . . . 74.51 109.822 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -82.6 142.62 31.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.92 0.888 . . . . 60.42 110.041 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.1 165.67 11.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.486 0.715 . . . . 75.23 109.269 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 17.7 m-70 -73.74 159.97 32.2 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.905 -0.776 . . . . 71.1 108.905 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -95.04 99.93 4.94 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.154 0.582 . . . . 62.13 110.382 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 98.2 Cg_endo -84.64 126.09 3.43 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.845 2.363 . . . . 73.14 112.434 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -168.06 145.38 4.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.287 0.635 . . . . 65.32 109.405 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.16 132.06 56.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.144 0.578 . . . . 61.31 109.875 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -123.08 -155.93 0.68 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.15 0.98 . . . . 75.54 109.549 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -113.27 84.15 7.18 Favored Pre-proline 0 N--CA 1.484 1.272 0 N-CA-C 107.628 -1.249 . . . . 75.24 107.628 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -96.53 112.82 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 123.358 2.705 . . . . 75.12 113.505 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.73 -77.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 112.092 0.404 . . . . 70.24 112.092 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.74 -34.87 6.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.849 0.46 . . . . 75.41 112.211 -166.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.26 -17.12 63.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.866 0.365 . . . . 71.35 111.269 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.61 -6.09 57.74 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.409 -0.814 . . . . 72.01 111.579 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.42 125.65 82.54 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.089 0.556 . . . . 70.13 109.842 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.672 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 70.44 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 73.14 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 74.44 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 71.51 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 74.33 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.44 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 74.45 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 73.52 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 72.25 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 74.21 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 65.51 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG21 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 73.43 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.672 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 74.41 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 71.21 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 74.55 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 73.4 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 64.22 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.526 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 73.51 109.17 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 65.53 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 73.52 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.429 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 71.12 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 74.35 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.405 ' HB3' HD12 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 75.22 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 61.02 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 62.21 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 74.24 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 73.14 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 73.33 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 72.52 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 74.15 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 75.44 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 73.22 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.47 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 73.43 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 64.42 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.33 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m -85.9 144.01 27.9 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.28 116.07 4.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.006 -0.739 . . . . 74.25 109.006 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -63.42 124.46 84.45 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.225 0.61 . . . . 74.42 112.273 -170.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.74 -16.0 11.81 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.217 1.945 . . . . 73.0 112.176 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.4 p -89.79 163.85 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.82 0.848 . . . . 70.03 109.394 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -73.35 83.24 1.42 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.016 0.526 . . . . 64.41 110.188 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 6.8 tp60 -153.4 47.32 0.37 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.646 0.778 . . . . 71.22 109.468 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 6.0 Cg_endo -85.29 84.73 1.29 Allowed 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 122.698 2.265 . . . . 74.21 111.215 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -82.37 64.7 7.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.473 1.13 . . . . 74.35 109.772 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.97 137.24 57.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-N 113.432 -1.713 . . . . 63.42 107.391 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -166.51 93.68 0.5 Allowed 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.956 -1.127 . . . . 75.43 107.956 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -122.87 80.99 49.76 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.411 0.684 . . . . 75.31 110.424 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.28 76.55 3.87 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.73 2.287 . . . . 74.14 110.192 171.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -34.03 72.71 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.295 -0.866 . . . . 73.22 111.192 -176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.286 -1.005 . . . . 74.13 108.286 170.148 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.458 -0.634 . . . . 73.33 112.074 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 m -62.33 -46.19 89.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.757 0.823 . . . . 75.33 110.34 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.75 132.86 48.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 106.995 -1.483 . . . . 75.43 106.995 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.66 77.09 6.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.198 0.599 . . . . 74.04 109.748 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.98 -32.66 74.05 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.782 -0.644 . . . . 74.11 109.937 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 pt20 -75.06 -14.48 60.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.898 0.879 . . . . 73.44 112.237 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 -17.5 50.04 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 118.194 0.452 . . . . 71.4 110.986 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.35 -11.13 60.56 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.82 0.848 . . . . 72.24 112.584 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' HB3' ' HZ1' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -74.01 92.39 2.13 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 122.679 1.228 . . . . 74.51 108.966 173.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 3.9 mmp_? -93.69 162.85 13.77 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.32 -1.309 . . . . 60.42 109.84 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -70.22 170.85 10.81 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.571 0.748 . . . . 75.23 111.809 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.485 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 19.1 p80 -123.25 110.62 15.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.259 0.624 . . . . 71.1 109.667 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -151.2 148.64 22.95 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.942 1.297 . . . . 62.13 107.951 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.2 79.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.51 2.14 . . . . 73.14 111.02 164.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -178.77 161.03 1.2 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 65.32 108.507 -167.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.89 59.91 2.73 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.095 0.958 . . . . 61.31 111.108 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.7 -41.91 82.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.936 0.894 . . . . 75.54 109.719 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 8.6 t30 -157.74 139.59 10.06 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 113.398 -1.728 . . . . 75.24 107.319 175.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.83 77.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.558 1.724 0 C-N-CA 123.228 2.618 . . . . 75.12 112.845 168.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.55 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.38 1.472 . . . . 70.24 109.322 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 12.1 tp10 -83.03 123.16 29.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.899 -0.592 . . . . 75.41 110.821 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.45 9.92 2.91 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.874 1.27 . . . . 71.35 112.668 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' A' ' 47' ' ' THR . 21.2 t70 -103.68 18.11 22.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.857 1.263 . . . . 72.01 110.247 -166.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.45 127.91 93.36 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 124.508 1.123 . . . . 70.13 110.754 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.675 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 70.44 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 73.14 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 74.44 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.482 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 71.51 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 74.33 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.44 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.568 ' HB2' HG22 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 74.45 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.729 ' HG3' HG21 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 73.52 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 55' ' ' GLN . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 72.25 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 74.21 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 65.51 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.729 HG21 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 73.43 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.675 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.504 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.504 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 74.41 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 71.21 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 74.55 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG11 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 73.4 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 64.22 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' HD11 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 73.51 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 65.53 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD23 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' HG21 ' A' ' 66' ' ' THR . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 73.52 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 71.12 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 74.35 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.533 ' HB3' HD21 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 75.22 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 61.02 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 62.21 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 74.24 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 73.14 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 73.33 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 72.52 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 74.15 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 75.44 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 73.22 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.496 ' HA ' HG23 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 73.43 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 64.42 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.33 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -65.77 149.73 49.67 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.94 160.34 33.05 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.424 -0.584 . . . . 74.25 109.424 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 101' ' ' VAL . 24.9 t -63.35 124.75 85.36 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.628 0.771 . . . . 74.42 109.479 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.96 2.71 5.26 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.551 2.167 . . . . 73.0 113.253 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.482 ' H ' HG12 ' A' ' 99' ' ' VAL . 22.0 m -136.12 -177.51 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 70.03 111.131 -170.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 62.55 -88.56 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.637 1.575 . . . . 64.41 112.141 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -158.16 81.61 2.92 Favored Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 109.028 -0.73 . . . . 71.22 109.028 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -92.45 24.04 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.761 0 C-N-CA 123.256 2.637 . . . . 74.21 112.75 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -117.59 -171.69 2.09 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.869 0.868 . . . . 74.35 109.208 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t 68.5 14.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 125.43 1.492 . . . . 63.42 111.156 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -118.44 155.26 31.08 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.018 0.927 . . . . 75.43 110.205 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.1 p -65.42 124.42 87.09 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.226 0.61 . . . . 75.31 110.479 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo -62.36 103.67 0.32 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.99 2.46 . . . . 74.14 112.019 -178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -75.09 131.44 40.54 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.259 1.024 . . . . 73.22 111.208 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.481 -0.933 . . . . 74.13 108.481 175.502 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 111.853 -0.499 . . . . 73.33 111.853 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.9 p -82.02 152.26 26.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 122.807 0.443 . . . . 75.33 110.429 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.85 167.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 122.889 0.476 . . . . 75.43 109.896 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.59 108.83 13.43 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.54 -0.541 . . . . 74.04 109.54 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -85.65 -27.57 25.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.413 0.685 . . . . 74.11 110.353 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -53.36 -50.49 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.158 1.383 . . . . 73.44 113.796 -167.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.37 70.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.166 0.587 . . . . 71.4 111.659 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 58.88 83.92 0.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.157 1.383 . . . . 72.24 109.706 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -98.96 62.74 1.32 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.173 -0.921 . . . . 74.51 111.006 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -140.8 103.99 4.61 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.363 -0.977 . . . . 60.42 108.363 170.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -148.92 168.33 23.34 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.83 1.252 . . . . 75.23 108.404 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.0 m170 62.01 -154.85 0.35 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.883 -0.784 . . . . 71.1 108.883 -173.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -108.79 92.37 10.38 Favored Pre-proline 0 N--CA 1.48 1.034 0 N-CA-C 108.688 -0.856 . . . . 62.13 108.688 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.04 -8.43 23.6 Favored 'Trans proline' 0 C--N 1.391 2.783 0 C-N-CA 122.595 2.197 . . . . 73.14 113.002 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -64.88 -65.63 0.65 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.589 0.756 . . . . 65.32 109.974 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.42 -159.61 0.59 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.202 0.601 . . . . 61.31 110.371 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.48 -79.09 0.16 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.446 0.698 . . . . 75.54 110.79 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -132.77 149.56 73.31 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.489 0.716 . . . . 75.24 109.913 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 24.8 Cg_exo -65.32 138.83 57.21 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.361 2.041 . . . . 75.12 110.955 165.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 71.22 21.06 4.86 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.615 1.166 . . . . 70.24 112.117 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -85.1 -67.03 0.83 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.651 0.78 . . . . 75.41 110.288 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.22 22.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.039 0.935 . . . . 71.35 109.656 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 48' ' ' ARG . 9.4 p-10 -99.62 21.94 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.113 1.365 . . . . 72.01 111.859 -164.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' A' ' 47' ' ' THR . 9.6 mp -61.72 144.55 92.96 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 123.146 0.578 . . . . 70.13 110.473 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 70.44 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 73.14 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 74.44 110.05 -176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HD23 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 71.51 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 74.33 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.44 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.558 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 74.45 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG3' HG23 ' A' ' 46' ' ' VAL . 78.5 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 73.52 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 72.25 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 74.21 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 65.51 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 73.43 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.635 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 74.41 111.092 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 71.21 109.16 166.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 74.55 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 73.4 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 64.22 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 73.51 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 65.53 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 73.52 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 71.12 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 74.35 109.933 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 75.22 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 61.02 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 62.21 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 74.24 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 73.14 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 73.33 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 72.52 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 74.15 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.426 ' HD1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 75.44 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 73.22 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.458 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 73.43 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.426 HG21 ' HD1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 64.42 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.33 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m -91.08 154.2 19.56 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.3 116.39 3.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 108.697 -0.853 . . . . 74.25 108.697 169.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 103' ' ' GLN . 95.2 t -63.37 108.96 2.05 Favored Pre-proline 0 CA--C 1.556 1.18 0 O-C-N 124.279 0.987 . . . . 74.42 110.372 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.08 -67.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.075 2.516 . . . . 73.0 112.344 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.0 m -135.34 -34.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.571 0.748 . . . . 70.03 111.444 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.89 83.46 5.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.887 0.475 . . . . 64.41 109.9 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.442 ' HA ' HG13 ' A' ' 99' ' ' VAL . 43.1 mt-30 -80.29 119.29 76.01 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-N 115.33 -0.85 . . . . 71.22 110.036 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.57 84.12 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 121.842 1.695 . . . . 74.21 109.716 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -67.61 89.08 0.24 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.65 -1.159 . . . . 74.35 110.565 -173.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.65 146.73 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 107.364 -1.347 . . . . 63.42 107.364 166.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -72.83 80.51 1.15 Allowed 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.7 0.762 . . . . 75.43 110.578 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -129.9 112.21 17.34 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.111 1.364 . . . . 75.31 107.801 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.69 94.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.757 2.971 . . . . 74.14 114.275 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.57 115.67 25.58 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.726 -1.213 . . . . 73.22 107.726 172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 124.842 1.257 . . . . 74.13 108.941 -169.303 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.974 0 N-CA-C 113.403 0.121 . . . . 73.33 113.403 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -94.03 -172.78 2.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.327 0.651 . . . . 75.33 110.129 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 mm 66.08 59.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-O 123.375 1.56 . . . . 75.43 108.342 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.52 111.25 15.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 112.972 -1.922 . . . . 74.04 109.352 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -64.18 -22.47 66.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.108 0.563 . . . . 74.11 111.086 177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.75 -44.04 97.23 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.78 0.832 . . . . 73.44 109.407 169.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.19 65.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.58 0.752 . . . . 71.4 111.755 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.87 97.42 5.98 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.42 -0.585 . . . . 72.24 109.42 171.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.54 37.67 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.455 -0.943 . . . . 74.51 108.455 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -56.22 -49.16 74.9 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.593 1.157 . . . . 60.42 111.838 -165.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? 68.77 158.97 0.16 Allowed 'General case' 0 CA--C 1.558 1.267 0 O-C-N 124.67 1.231 . . . . 75.23 112.603 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 71.89 -7.89 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.938 1.295 . . . . 71.1 113.041 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m 51.46 79.66 0.33 Allowed Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 125.786 1.634 . . . . 62.13 113.017 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 -171.97 0.84 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.529 2.152 . . . . 73.14 111.959 162.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.5 -28.93 52.28 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.883 -0.599 . . . . 65.32 110.199 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.02 -8.81 58.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.094 0.958 . . . . 61.31 111.814 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.58 -177.75 5.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.877 0.871 . . . . 75.54 109.547 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -56.51 122.33 49.59 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.303 0.641 . . . . 75.24 109.847 172.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.65 107.72 0.27 Allowed 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.732 2.288 . . . . 75.12 112.95 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.32 -49.26 0.13 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.768 1.227 . . . . 70.24 107.878 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 134.8 41.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.91 -1.144 . . . . 75.41 107.91 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.85 13.03 4.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.515 1.526 . . . . 71.35 111.943 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.45 25.83 11.28 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.696 0.798 . . . . 72.01 109.254 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.89 137.98 87.69 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 70.44 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 73.14 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 74.44 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 71.51 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 74.33 110.534 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.44 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 74.45 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 73.52 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' HB3' HD23 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 72.25 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.41 HG21 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 74.21 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 65.51 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.627 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 73.43 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.554 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.69 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 74.41 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 71.21 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 74.55 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 73.4 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 64.22 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 73.51 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 65.53 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 73.52 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 71.12 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 74.35 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 75.22 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 61.02 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 62.21 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 74.24 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HB2' ' HG1' ' A' ' 97' ' ' THR . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 73.14 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 73.33 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 72.52 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.557 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 74.15 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.557 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 75.44 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.69 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 73.22 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 73.43 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 64.42 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.33 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.45 ' HG1' ' HB2' ' A' ' 75' ' ' GLU . 15.0 m -71.53 123.55 22.68 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.548 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 3.8 p-10 -72.19 141.44 49.05 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.632 -0.877 . . . . 74.25 108.632 173.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.59 131.32 42.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.355 -0.98 . . . . 74.42 108.355 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.83 15.41 0.18 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 123.439 2.759 . . . . 73.0 115.18 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.54 -167.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.502 0.721 . . . . 70.03 109.618 172.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -73.64 79.72 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.93 -0.767 . . . . 64.41 108.93 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.548 ' NE2' ' HB2' ' A' ' 98' ' ' ASP . 0.9 OUTLIER -109.6 134.29 20.62 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.483 1.113 . . . . 71.22 109.138 -175.536 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HD2' ' HG2' ' A' ' 103' ' ' GLN . 1.6 Cg_exo -27.91 -47.81 0.1 Allowed 'Trans proline' 0 C--N 1.393 2.915 1 C-N-CA 126.061 4.507 . . . . 74.21 117.043 -174.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -140.02 87.0 2.12 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 108.238 -1.023 . . . . 74.35 108.238 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.32 95.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.444 -0.947 . . . . 63.42 108.444 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -44.96 85.36 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.757 0.823 . . . . 75.43 110.356 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.5 t 64.04 97.01 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 O-C-N 125.019 1.45 . . . . 75.31 110.885 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.54 -40.1 73.2 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.611 2.874 . . . . 74.14 114.366 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.93 -163.44 1.27 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.666 1.187 . . . . 73.22 108.932 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 118.636 -0.697 . . . . 74.13 109.208 176.443 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 CA-C-O 119.536 -0.591 . . . . 73.33 112.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.7 m -72.2 121.93 20.18 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 117.339 0.57 . . . . 75.33 110.516 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.5 115.41 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.055 -0.72 . . . . 75.43 109.055 173.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.62 101.68 4.32 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.343 -0.984 . . . . 74.04 108.343 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.61 -32.21 70.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.48 0.312 . . . . 74.11 111.562 -176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -70.59 -18.47 62.9 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.178 0.591 . . . . 73.44 111.917 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.38 -32.93 58.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.453 1.101 . . . . 71.4 111.812 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.07 75.05 9.02 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.446 -0.946 . . . . 72.24 108.446 172.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 1.5 tmtp? -100.88 133.9 44.66 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.824 -1.176 . . . . 74.51 107.824 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.4 ppt_? -157.24 166.41 33.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.932 0.893 . . . . 60.42 110.011 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -102.52 157.39 16.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.635 0.774 . . . . 75.23 109.734 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.459 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 30.2 p80 -141.83 36.4 1.6 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.796 0.838 . . . . 71.1 109.106 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 p -92.05 100.01 3.14 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.372 1.069 . . . . 62.13 110.19 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 41.4 Cg_endo -89.84 -170.58 0.43 Allowed 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.306 2.004 . . . . 73.14 110.904 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.06 78.11 4.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.127 -1.064 . . . . 65.32 108.127 170.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.83 164.74 12.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.432 -1.258 . . . . 61.31 110.837 -174.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -36.07 82.34 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.008 -0.542 . . . . 75.54 111.484 176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -178.19 124.15 0.26 Allowed Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.038 1.335 . . . . 75.24 108.327 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.0 100.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.258 2.638 . . . . 75.12 113.33 174.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.22 -62.99 0.09 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.418 -0.81 . . . . 70.24 110.722 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -55.9 -47.1 78.05 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.293 0.637 . . . . 75.41 112.158 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.35 56.53 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.834 0.854 . . . . 71.35 111.135 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' A' ' 47' ' ' THR . 3.0 m-20 -97.46 15.61 22.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.68 1.192 . . . . 72.01 110.862 -171.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -55.32 132.81 69.83 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.239 1.016 . . . . 70.13 110.652 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.571 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.546 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 70.44 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 73.14 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 74.44 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 71.51 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 74.33 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.44 112.417 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.636 ' HB2' HG23 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 74.45 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.44 ' HG2' ' HG1' ' A' ' 43' ' ' THR . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 73.52 112.087 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD23 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HB2' HG21 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 72.25 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.44 ' HG1' ' HG2' ' A' ' 38' ' ' GLN . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 74.21 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 65.51 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 73.43 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.546 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 74.41 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 71.21 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 74.55 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 73.4 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 64.22 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 73.51 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.539 ' HB2' HD23 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 65.53 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 73.52 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 71.12 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 74.35 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.651 ' HA2' ' HD1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' HG3' HD23 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.651 ' HD1' ' HA2' ' A' ' 67' ' ' GLY . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 75.22 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 61.02 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 62.21 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 74.24 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 73.14 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD23 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 73.33 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 72.52 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 74.15 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 75.44 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 73.22 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 73.43 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 64.42 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.471 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.33 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m -59.86 146.21 42.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -61.7 124.4 20.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 122.973 0.509 . . . . 74.25 109.984 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.408 ' HB ' HG13 ' A' ' 101' ' ' VAL . 17.3 m -89.95 134.93 30.91 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 122.986 0.514 . . . . 74.42 110.481 -177.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.55 2.99 7.62 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.908 2.405 . . . . 73.0 112.974 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 HG13 ' HB ' ' A' ' 99' ' ' VAL . 12.1 p -89.65 150.67 3.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 123.533 0.733 . . . . 70.03 109.644 175.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -64.51 110.11 2.19 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.511 -0.552 . . . . 64.41 109.511 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.94 148.3 86.88 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 109.281 -0.636 . . . . 71.22 109.281 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.507 ' HG2' HG12 ' A' ' 106' ' ' VAL . 89.9 Cg_endo -77.63 -174.84 2.38 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.207 1.938 . . . . 74.21 111.027 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -80.83 65.24 5.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.775 0.798 . . . . 74.35 110.954 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.507 HG12 ' HG2' ' A' ' 104' ' ' PRO . 26.4 m -83.75 131.79 33.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.907 -1.516 . . . . 63.42 106.907 162.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -63.42 99.35 0.2 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.897 0.856 . . . . 75.43 110.055 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 m -79.08 128.42 76.24 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 114.98 -1.009 . . . . 75.31 109.879 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.0 -28.19 31.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.262 2.642 . . . . 74.14 113.788 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -69.12 -50.33 49.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.619 0.768 . . . . 73.22 110.415 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.943 0.897 . . . . 74.13 111.212 -176.329 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 112.018 -0.433 . . . . 73.33 112.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -79.79 137.03 36.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.081 0.553 . . . . 75.33 109.987 173.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pp -72.08 168.46 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.258 0.623 . . . . 75.43 111.514 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.18 110.53 23.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.017 0.927 . . . . 74.04 109.176 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.85 -16.02 59.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.641 0.734 . . . . 74.11 109.081 170.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -74.03 -17.99 60.9 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.485 1.114 . . . . 73.44 110.409 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HA ' ' HD3' ' A' ' 11' ' ' ARG . . . -66.84 -15.36 63.56 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 123.581 0.752 . . . . 71.4 111.989 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -21.05 66.06 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.736 1.214 . . . . 72.24 111.025 176.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -98.38 152.68 19.21 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.481 0.713 . . . . 74.51 110.609 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.67 96.84 0.09 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.314 1.046 . . . . 60.42 111.136 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 8.0 ptm180 -125.9 -148.6 0.39 Allowed 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.832 -1.173 . . . . 75.23 107.832 177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -69.68 92.17 0.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.469 -0.937 . . . . 71.1 108.469 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -64.19 108.79 2.1 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.9 1.28 . . . . 62.13 111.891 -168.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.59 78.57 2.73 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.773 2.315 . . . . 73.14 113.632 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.52 127.12 33.01 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.825 -0.625 . . . . 65.32 110.173 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.1 -178.03 3.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.736 0.814 . . . . 61.31 110.798 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 164.67 24.28 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.474 -0.565 . . . . 75.54 109.474 169.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -105.78 96.14 11.93 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 109.285 -0.635 . . . . 75.24 109.285 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.26 163.5 34.66 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.248 1.965 . . . . 75.12 110.111 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HA ' ' OG1' ' A' ' 47' ' ' THR . . . 63.6 27.73 14.99 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.739 0.815 . . . . 70.24 110.886 -170.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.22 -72.45 0.1 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.856 -0.611 . . . . 75.41 110.349 -173.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -10.6 59.99 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.032 0.933 . . . . 71.35 112.481 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -112.28 29.93 7.5 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.902 1.281 . . . . 72.01 109.851 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 ' HA ' HG21 ' A' ' 47' ' ' THR . 9.4 tt -50.63 132.67 27.28 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 124.991 1.317 . . . . 70.13 109.913 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.684 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 70.44 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 73.14 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 74.44 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 71.51 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 74.33 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.44 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.464 ' HB2' HG23 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 74.45 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.632 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 73.52 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 72.25 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 74.21 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 65.51 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.632 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 73.43 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.684 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 74.41 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG11 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 71.21 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 74.55 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 73.4 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 64.22 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 73.51 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 65.53 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 73.52 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 71.12 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 74.35 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 75.22 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 61.02 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 62.21 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 74.24 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 73.14 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 73.33 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 72.52 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 74.15 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 75.44 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 73.22 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.406 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 73.43 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 64.42 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 74' ' ' TYR . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.33 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m -70.06 139.16 52.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.96 111.89 0.93 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.982 0.913 . . . . 74.25 109.848 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.526 HG23 HG11 ' A' ' 101' ' ' VAL . 7.9 p -67.94 121.48 79.93 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.869 -0.789 . . . . 74.42 108.869 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.48 -29.66 50.3 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.439 2.76 . . . . 73.0 114.758 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.526 HG11 HG23 ' A' ' 99' ' ' VAL . 14.3 p -64.39 -30.35 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.983 0.42 . . . . 70.03 111.329 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 109.62 14.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 106.756 -1.572 . . . . 64.41 106.756 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -56.73 107.08 0.78 Allowed Pre-proline 0 CA--C 1.555 1.151 0 C-N-CA 124.407 1.083 . . . . 71.22 112.331 -167.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -93.66 -167.74 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.353 2.702 . . . . 74.21 112.154 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.74 -27.75 13.82 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.389 0.676 . . . . 74.35 110.32 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -90.24 139.48 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.223 0.609 . . . . 63.42 109.768 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -130.43 150.18 51.77 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.466 -0.568 . . . . 75.43 109.466 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 m -71.87 138.22 82.54 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.997 0.519 . . . . 75.31 110.341 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -60.69 -23.54 76.38 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 123.25 2.634 . . . . 74.14 113.009 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.34 149.0 30.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.137 0.975 . . . . 73.22 108.803 172.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.247 0.962 0 C-N-CA 123.84 0.856 . . . . 74.13 109.478 -172.163 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.516 -0.234 . . . . 73.33 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -74.42 108.34 7.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.094 0.557 . . . . 75.33 110.615 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.44 90.27 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.349 -1.352 . . . . 75.43 107.349 168.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.03 108.54 2.25 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.199 -0.909 . . . . 74.04 110.501 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -74.23 -17.37 60.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.269 0.628 . . . . 74.11 111.94 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -18.99 60.12 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.994 0.918 . . . . 73.44 110.045 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.2 -17.04 61.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.572 1.149 . . . . 71.4 112.508 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 10' ' ' ARG . 4.6 tt -57.08 118.59 5.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.289 1.036 . . . . 72.24 109.144 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.53 ' HE2' HG12 ' A' ' 29' ' ' ILE . 8.4 mptt -77.15 82.98 3.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.96 -0.756 . . . . 74.51 108.96 -174.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -126.99 96.36 4.6 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.81 -0.632 . . . . 60.42 109.361 -178.228 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.613 HH12 ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -158.63 129.24 6.11 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.735 1.214 . . . . 75.23 108.388 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.63 174.48 5.0 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.738 0.815 . . . . 71.1 112.235 -174.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -69.55 148.2 96.88 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 115.265 -0.88 . . . . 62.13 111.044 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -49.23 144.02 18.01 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.392 2.728 . . . . 73.14 113.227 167.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.93 95.04 2.14 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.222 -1.399 . . . . 65.32 107.222 173.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.87 113.54 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.705 1.202 . . . . 61.31 110.188 -169.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.91 116.9 13.97 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.108 -0.496 . . . . 75.54 110.559 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -137.15 70.32 55.74 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 108.469 -0.937 . . . . 75.24 108.469 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.72 77.36 3.71 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.954 2.436 . . . . 75.12 111.984 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.2 -29.04 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.416 -0.811 . . . . 70.24 112.392 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.49 -69.53 0.51 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.978 0.511 . . . . 75.41 111.995 -170.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.52 36.0 1.07 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.096 0.958 . . . . 71.35 108.821 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 5.6 m-20 -94.26 -0.12 55.28 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 113.833 -1.53 . . . . 72.01 112.511 -166.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp -56.65 135.1 77.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 122.696 0.398 . . . . 70.13 110.368 -178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 70.44 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 73.14 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.53 HG12 ' HE2' ' A' ' 9' ' ' LYS . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 74.44 110.614 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 71.51 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 74.33 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.44 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.54 ' HB2' HG23 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 74.45 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 73.52 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.815 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 72.25 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.462 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 74.21 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 65.51 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 73.43 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 74.41 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 71.21 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 74.55 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 73.4 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 64.22 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 73.51 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 65.53 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.815 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 73.52 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 71.12 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD13 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 74.35 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 75.22 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 61.02 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 62.21 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.445 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 74.24 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 73.14 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 73.33 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 72.52 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 74.15 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 75.44 109.392 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 73.22 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB2' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.613 ' HB1' HH12 ' A' ' 11' ' ' ARG . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 73.43 110.42 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 64.42 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.33 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -87.56 142.81 27.57 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -68.08 119.77 13.22 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.419 0.688 . . . . 74.25 109.794 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 p -81.45 113.31 40.93 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.749 0.819 . . . . 74.42 109.531 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.55 -37.95 20.68 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 123.225 2.617 . . . . 73.0 112.707 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.98 57.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.676 -1.147 . . . . 70.03 111.182 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -155.41 34.74 0.37 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.115 -0.948 . . . . 64.41 108.922 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 68.13 135.21 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 125.535 1.534 . . . . 71.22 111.023 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.58 105.38 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.77 2.313 . . . . 74.21 111.608 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.46 93.27 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.905 -0.589 . . . . 74.35 109.462 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.9 m -85.45 45.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.593 0.757 . . . . 63.42 110.556 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.59 97.56 0.05 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.97 0.908 . . . . 75.43 110.384 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 t -105.65 102.13 36.38 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.321 -0.854 . . . . 75.31 109.194 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.12 114.33 3.73 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.494 2.129 . . . . 74.14 110.816 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -155.27 128.29 8.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.172 0.589 . . . . 73.22 109.68 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.959 -0.543 . . . . 74.13 110.377 178.12 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.694 -0.562 . . . . 73.33 111.694 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -82.7 -55.59 4.35 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.202 0.601 . . . . 75.33 110.524 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp 51.42 83.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 124.692 1.197 . . . . 75.43 109.992 -170.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.85 92.59 1.61 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 74.04 109.744 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -86.62 -45.97 10.53 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.822 0.849 . . . . 74.11 110.186 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.32 -26.17 68.64 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.539 1.136 . . . . 73.44 111.925 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.57 -22.26 66.15 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 122.766 0.426 . . . . 71.4 111.535 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.61 26.96 7.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.138 0.975 . . . . 72.24 110.522 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -63.99 0.96 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.963 -0.384 . . . . 74.51 109.963 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.46 148.73 30.6 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.383 -0.599 . . . . 60.42 109.383 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -119.1 143.17 47.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.019 0.928 . . . . 75.23 109.655 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 66.11 101.45 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 O-C-N 124.63 1.206 . . . . 71.1 111.322 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.9 p -78.52 147.61 72.0 Favored Pre-proline 0 CA--C 1.554 1.102 0 CA-C-N 115.224 -0.898 . . . . 62.13 109.957 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.11 136.2 36.98 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.511 2.141 . . . . 73.14 112.097 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.04 120.17 13.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.459 1.103 . . . . 65.32 109.646 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.83 -89.33 0.15 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.659 0.384 . . . . 61.31 110.922 -173.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 172.61 159.83 0.11 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.234 1.414 . . . . 75.54 108.575 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 70.87 86.03 0.12 Allowed Pre-proline 0 N--CA 1.486 1.346 0 C-N-CA 124.924 1.29 . . . . 75.24 110.744 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.81 102.22 0.33 Allowed 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.984 2.456 . . . . 75.12 113.321 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.41 -74.27 0.29 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.849 0.46 . . . . 70.24 110.187 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.91 169.7 23.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.443 0.697 . . . . 75.41 109.439 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.7 -6.24 1.96 Allowed 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 125.407 1.483 . . . . 71.35 112.36 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.9 m-20 -97.56 29.83 3.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.129 1.371 . . . . 72.01 108.453 170.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.607 HD13 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp -55.03 129.72 66.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 123.756 0.822 . . . . 70.13 109.655 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.607 ' HD2' HD13 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 70.44 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 73.14 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 74.44 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 71.51 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.621 ' HA ' HD13 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 74.33 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.44 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.522 ' HE1' HD12 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 74.45 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.656 ' HG3' HG21 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 73.52 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.707 ' HB3' HD22 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 72.25 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 74.21 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 65.51 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.656 HG21 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 73.43 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 74.41 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 71.21 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.806 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 74.55 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.806 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 73.4 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 64.22 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 73.51 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 65.53 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 73.52 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 71.12 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD12 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 74.35 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 75.22 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 61.02 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 62.21 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 74.24 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 73.14 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 73.33 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 72.52 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 74.15 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 75.44 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD13 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 73.22 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 73.43 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 64.42 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.33 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m -61.52 155.36 22.24 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.78 140.98 34.43 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.739 -0.467 . . . . 74.25 109.739 170.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -61.69 116.68 22.09 Favored Pre-proline 0 CA--C 1.556 1.184 0 O-C-N 123.537 0.523 . . . . 74.42 110.034 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -58.54 -15.51 25.58 Favored 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.423 2.748 . . . . 73.0 113.359 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.1 t -72.19 -61.39 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.51 0.724 . . . . 70.03 109.736 172.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -110.31 58.09 0.61 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.9 0.88 . . . . 64.41 109.875 -172.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 26.6 mt-30 -66.36 -41.92 44.87 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 114.519 -1.218 . . . . 71.22 111.492 171.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 103' ' ' GLN . 17.9 Cg_endo -58.31 158.23 23.29 Favored 'Trans proline' 0 C--N 1.394 2.961 0 C-N-CA 121.357 1.371 . . . . 74.21 111.509 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.09 -173.45 4.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.079 0.551 . . . . 74.35 110.293 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 66.18 62.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 122.32 1.057 . . . . 63.42 109.668 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -143.78 51.49 1.33 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.743 -1.117 . . . . 75.43 108.813 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.3 p -64.98 121.09 72.05 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 115.654 -0.703 . . . . 75.31 109.999 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -51.66 107.55 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 123.386 2.724 . . . . 74.14 112.488 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.05 -25.55 67.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 73.22 111.352 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 123.141 0.576 . . . . 74.13 109.963 175.458 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.57 -0.612 . . . . 73.33 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -99.33 65.65 1.43 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.464 0.705 . . . . 75.33 109.232 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.41 114.34 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 106.939 -1.504 . . . . 75.43 106.939 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.9 94.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.265 0.555 . . . . 74.04 111.26 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 66.7 m-85 -85.94 -5.1 59.28 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.198 -0.91 . . . . 74.11 110.535 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -56.71 18.38 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.45 -13.56 58.06 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.278 -0.874 . . . . 71.4 111.557 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 79.0 1.42 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.218 0.532 . . . . 72.24 110.188 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 5' ' ' TYR . 5.0 tmtm? -149.9 75.09 1.24 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.058 -1.46 . . . . 74.51 107.058 164.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 156.4 10.67 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.08 -1.418 . . . . 60.42 110.046 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -156.79 -169.51 3.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.329 1.452 . . . . 75.23 108.51 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -72.63 85.01 1.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 106.857 -1.534 . . . . 71.1 106.857 160.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 m -100.78 98.58 8.56 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 123.794 0.837 . . . . 62.13 109.423 -172.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.96 142.38 13.78 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.194 1.929 . . . . 73.14 112.123 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 69.29 174.48 0.29 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.831 1.253 . . . . 65.32 112.466 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.22 -85.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.046 -0.724 . . . . 61.31 109.046 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 52.14 -132.5 1.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.465 1.106 . . . . 75.54 110.955 176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.583 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 13.5 t30 73.8 148.92 0.12 Allowed Pre-proline 0 N--CA 1.495 1.8 0 C-N-CA 123.887 0.875 . . . . 75.24 112.402 160.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.36 -42.27 13.69 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 123.224 2.616 . . . . 75.12 113.208 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.5 -62.16 0.47 Allowed 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 125.406 1.483 . . . . 70.24 113.113 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -67.72 -12.15 59.9 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.274 -1.33 . . . . 75.41 111.932 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.57 0.51 26.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.542 0.737 . . . . 71.35 111.274 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -123.91 31.59 5.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.232 1.013 . . . . 72.01 112.297 -168.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp -58.1 154.64 28.96 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 123.29 0.636 . . . . 70.13 111.426 174.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.456 ' OE1' ' HB2' ' A' ' 5' ' ' TYR . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 70.44 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 73.14 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 74.44 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HD23 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 71.51 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 74.33 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.44 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.557 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 74.45 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 73.52 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' HB2' HG22 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 72.25 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 74.21 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 65.51 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 73.43 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 74.41 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 71.21 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 74.55 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.528 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 73.4 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 64.22 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 73.51 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 65.53 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 73.52 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 71.12 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 74.35 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.2 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD23 HG21 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 68' ' ' GLN . 34.8 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 75.22 111.016 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 61.02 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 62.21 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 74.24 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 73.14 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 73.33 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 72.52 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 74.15 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.605 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 75.44 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 73.22 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 73.43 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 64.42 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.33 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m -94.94 159.29 15.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.68 110.89 1.42 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.395 -0.595 . . . . 74.25 109.395 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.48 147.76 94.85 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 123.736 0.648 . . . . 74.42 109.795 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.65 -14.43 31.32 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.677 2.251 . . . . 73.0 113.667 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.9 t 68.55 151.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.201 1.401 . . . . 70.03 110.291 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 80.04 -27.09 0.15 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.359 1.463 . . . . 64.41 111.654 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -72.09 110.62 8.29 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.263 1.025 . . . . 71.22 110.056 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.99 19.93 1.32 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.341 2.694 . . . . 74.21 112.611 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.7 33.32 2.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.063 0.945 . . . . 74.35 110.688 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.0 m -114.42 105.97 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.689 1.195 . . . . 63.42 107.792 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -166.21 -30.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.469 0.708 . . . . 75.43 111.063 -168.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.3 p -62.77 166.14 8.24 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 124.021 0.928 . . . . 75.31 111.545 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.05 -10.18 0.64 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.689 2.926 . . . . 74.14 115.631 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.08 5.01 39.82 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.341 1.057 . . . . 73.22 111.054 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 125.805 1.642 . . . . 74.13 110.127 -175.776 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.808 -0.517 . . . . 73.33 111.808 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p 53.47 -86.89 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.196 1.798 . . . . 75.33 112.705 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -146.44 166.63 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.852 1.261 . . . . 75.43 109.031 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 4.9 m-20 -74.69 87.04 2.17 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.406 -0.59 . . . . 74.04 109.406 171.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -86.85 -32.6 20.18 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.33 0.652 . . . . 74.11 112.102 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -85.53 -58.25 2.74 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.069 0.548 . . . . 73.44 111.364 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.15 55.11 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.499 0.319 . . . . 71.4 110.468 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 57.2 62.49 2.18 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.754 1.221 . . . . 72.24 109.567 -179.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.34 74.97 10.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.403 -0.962 . . . . 74.51 108.403 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 152.28 32.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.238 -0.437 . . . . 60.42 110.441 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -157.23 119.88 3.94 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.985 -1.116 . . . . 75.23 107.985 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -64.83 -28.21 69.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.756 0.422 . . . . 71.1 110.602 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 m 64.03 82.6 0.21 Allowed Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 124.773 1.229 . . . . 62.13 111.723 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.49 78.67 0.9 Allowed 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.731 2.287 . . . . 73.14 111.506 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -156.31 171.54 20.04 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.921 -1.036 . . . . 65.32 108.839 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.01 154.0 1.65 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.854 0.862 . . . . 61.31 111.552 173.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -54.66 104.71 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.731 1.213 . . . . 75.54 110.963 -168.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 120.52 49.91 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.216 0.948 . . . . 75.24 110.315 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.03 80.13 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 123.251 2.634 . . . . 75.12 111.218 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.93 -68.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.28 -1.327 . . . . 70.24 108.846 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.41 -10.11 1.25 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.455 0.539 . . . . 75.41 112.455 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 -22.02 20.27 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.114 0.483 . . . . 71.35 110.979 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -101.59 -19.39 15.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.116 0.967 . . . . 72.01 112.695 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp -51.36 160.94 0.85 Allowed Pre-proline 0 N--CA 1.5 2.05 0 C-N-CA 124.313 1.045 . . . . 70.13 112.996 -173.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.419 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 70.44 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 73.14 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 74.44 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 71.51 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 74.33 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.44 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.488 ' HB2' HG22 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 74.45 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HG3' HG21 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 73.52 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.747 ' HB3' HD23 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 72.25 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 74.21 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 65.51 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.52 HG21 ' HG3' ' A' ' 38' ' ' GLN . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 73.43 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.647 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 74.41 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 71.21 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 74.55 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 73.4 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 64.22 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 73.51 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 65.53 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.747 HD23 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 73.52 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 71.12 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 74.35 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.402 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 12.0 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 75.22 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 61.02 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 62.21 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 74.24 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 73.14 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 73.33 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.472 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 72.52 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 74.15 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 75.44 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.647 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 73.22 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 73.43 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 64.42 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.33 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m -89.27 134.74 33.93 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.92 110.11 2.76 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.317 -0.623 . . . . 74.25 109.317 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.96 134.26 56.79 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.914 0.486 . . . . 74.42 110.057 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -82.45 -6.31 11.8 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.718 2.279 . . . . 73.0 112.057 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.67 158.08 11.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.311 1.044 . . . . 70.03 110.242 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.75 125.08 44.1 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.104 -1.073 . . . . 64.41 108.104 173.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -127.59 111.55 20.85 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 71.22 108.776 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -59.83 98.6 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.811 2.341 . . . . 74.21 111.458 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -60.95 -55.41 33.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.021 0.928 . . . . 74.35 110.615 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.4 t 40.77 84.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 126.375 1.87 . . . . 63.42 112.866 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -110.1 138.12 46.91 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.232 0.613 . . . . 75.43 110.018 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.39 143.73 28.14 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.668 0.787 . . . . 75.31 110.901 -172.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.89 -56.33 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.692 2.261 . . . . 74.14 112.437 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -110.14 -88.22 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.726 0.81 . . . . 73.22 109.836 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.377 0 C-N-CA 125.106 1.363 . . . . 74.13 112.328 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.058 -0.817 . . . . 73.33 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -144.42 94.37 2.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.545 0.738 . . . . 75.33 109.241 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tp -165.69 133.66 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.418 -0.956 . . . . 75.43 108.418 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.6 82.77 1.12 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.885 -0.413 . . . . 74.04 109.885 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -86.13 -20.37 28.75 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.153 0.981 . . . . 74.11 109.363 170.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.99 -36.32 65.3 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.127 1.371 . . . . 73.44 112.28 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -13.18 62.2 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.293 0.849 . . . . 71.4 113.293 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.76 -177.17 3.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.345 0.258 . . . . 72.24 110.503 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 tttp 76.01 9.43 3.35 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 125.007 1.323 . . . . 74.51 111.542 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -85.14 104.0 14.63 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.257 -1.016 . . . . 60.42 108.257 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -63.37 114.7 4.01 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.151 -0.931 . . . . 75.23 109.21 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.7 165.14 10.83 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 123.82 0.7 . . . . 71.1 110.649 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -54.21 141.25 51.81 Favored Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 123.885 0.874 . . . . 62.13 111.379 -174.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.37 5.88 2.13 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.741 2.294 . . . . 73.14 113.729 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -67.87 149.33 49.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.205 1.002 . . . . 65.32 110.432 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.26 -165.39 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.616 1.166 . . . . 61.31 110.929 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -66.94 148.97 51.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.689 0.395 . . . . 75.54 110.059 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -53.57 138.38 51.06 Favored Pre-proline 0 N--CA 1.484 1.247 0 C-N-CA 124.464 1.106 . . . . 75.24 112.557 -176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.55 4.15 1.15 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.48 2.787 . . . . 75.12 114.236 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.07 49.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.077 1.351 . . . . 70.24 112.306 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.97 -42.36 80.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.798 0.839 . . . . 75.41 111.797 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.56 -27.29 58.56 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.421 0.689 . . . . 71.35 111.758 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.86 11.26 34.36 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.91 0.884 . . . . 72.01 110.479 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.28 133.46 81.19 Favored Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 124.327 1.051 . . . . 70.13 111.277 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 70.44 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 73.14 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.493 HG23 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 74.44 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 71.51 109.381 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 74.33 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.44 111.501 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.65 ' HB2' HG23 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 74.45 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.628 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 73.52 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 HD23 HE21 ' A' ' 68' ' ' GLN . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 72.25 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 74.21 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 65.51 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG23 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 73.43 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.506 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 74.41 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 71.21 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 74.55 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.526 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 73.4 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 64.22 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 73.51 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 65.53 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' HB2' HD11 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 73.52 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.45 ' HG1' HD13 ' A' ' 78' ' ' LEU . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 71.12 109.782 175.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 74.35 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.443 ' HA ' HD13 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.7 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 68' ' ' GLN . 47.5 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 75.22 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 61.02 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 62.21 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 74.24 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 73.14 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 HD13 ' HG1' ' A' ' 63' ' ' THR . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 73.33 111.091 176.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 72.52 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 74.15 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.637 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 75.44 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 73.22 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 73.43 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 64.42 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.33 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m -80.64 140.65 35.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.88 109.65 1.31 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.959 -0.756 . . . . 74.25 108.959 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.34 98.85 3.25 Favored Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 123.611 0.765 . . . . 74.42 111.057 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.96 -13.85 13.96 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.801 2.334 . . . . 73.0 113.645 -172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.14 -48.84 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 122.929 0.492 . . . . 70.03 110.512 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -168.49 142.48 3.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.232 1.013 . . . . 64.41 108.523 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -122.52 102.66 38.92 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 108.642 -0.873 . . . . 71.22 108.642 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.57 -178.29 3.3 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.812 2.341 . . . . 74.21 112.273 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -87.94 48.98 1.72 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.258 0.623 . . . . 74.35 110.316 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.61 115.93 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 63.42 110.069 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -101.32 83.1 2.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.747 0.819 . . . . 75.43 110.344 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.484 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 24.7 p -161.41 51.08 0.33 Allowed Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 115.356 -0.838 . . . . 75.31 111.106 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 108' ' ' SER . 49.6 Cg_endo -92.97 64.61 0.54 Allowed 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 122.756 2.304 . . . . 74.14 110.581 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.18 79.0 2.98 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.187 -0.915 . . . . 73.22 110.666 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 125.203 1.401 . . . . 74.13 107.327 -177.262 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 112.101 -0.4 . . . . 73.33 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.43 72.19 8.91 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 75.33 110.928 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.39 146.35 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.518 1.127 . . . . 75.43 108.049 170.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 4.0 m-20 -88.34 89.23 7.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.348 0.659 . . . . 74.04 110.728 -170.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -65.2 -39.8 93.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.214 0.606 . . . . 74.11 111.818 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.42 -36.84 28.99 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.435 0.694 . . . . 73.44 111.684 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . . . -76.14 -35.24 59.32 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.86 0.464 . . . . 71.4 111.466 -177.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.11 -35.54 59.25 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.52 -0.548 . . . . 72.24 109.52 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 67.1 8.04 5.88 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.712 1.205 . . . . 74.51 111.795 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -78.1 92.89 4.44 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 121.835 0.826 . . . . 60.42 111.049 -173.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -107.59 136.91 46.55 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.599 -2.0 . . . . 75.23 105.599 165.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -76.37 146.79 38.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.859 0.361 . . . . 71.1 111.331 -170.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -66.29 138.65 96.01 Favored Pre-proline 0 CA--C 1.556 1.179 0 CA-C-N 115.034 -0.985 . . . . 62.13 109.738 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -50.14 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.503 2.802 . . . . 73.14 113.646 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -113.57 -78.27 0.58 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.682 0.793 . . . . 65.32 109.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.28 -79.83 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.13 0.572 . . . . 61.31 110.438 -172.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HG2' ' H ' ' A' ' 18' ' ' ASN . 11.0 tt0 -164.14 -169.01 1.71 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.666 -0.494 . . . . 75.54 109.666 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' H ' ' HG2' ' A' ' 17' ' ' GLU . 8.4 m-20 -61.99 145.45 92.92 Favored Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.877 1.271 . . . . 75.24 111.524 -174.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.93 -53.87 0.81 Allowed 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.489 2.126 . . . . 75.12 110.83 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.89 -78.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.567 1.147 . . . . 70.24 108.846 169.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -21.13 0.48 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.931 0.715 . . . . 75.41 112.931 -175.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.75 -20.01 65.42 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.054 0.942 . . . . 71.35 113.396 -173.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -99.44 20.45 13.77 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 123.922 0.889 . . . . 72.01 110.154 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 tp -55.55 131.55 71.18 Favored Pre-proline 0 N--CA 1.497 1.898 0 C-N-CA 124.051 0.94 . . . . 70.13 110.613 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.628 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 70.44 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 73.14 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 74.44 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 71.51 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 74.33 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.44 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.474 ' HE1' HD12 ' A' ' 65' ' ' LEU . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 74.45 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' HG3' HG23 ' A' ' 46' ' ' VAL . 80.4 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 73.52 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HB2' HG21 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 72.25 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 74.21 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 65.51 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 73.43 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 74.41 110.925 176.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 71.21 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.655 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 74.55 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.655 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 73.4 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 64.22 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 73.51 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 65.53 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 73.52 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 71.12 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD12 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 74.35 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.447 HG23 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.5 mp0 -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 75.22 110.311 176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 61.02 112.129 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 62.21 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 74.24 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 73.14 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 73.33 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 72.52 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 74.15 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 75.44 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 73.22 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' HZ ' HG23 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 73.43 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 64.42 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.33 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -73.14 161.28 30.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.32 146.63 53.09 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.675 0.39 . . . . 74.25 110.64 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.76 133.85 88.35 Favored Pre-proline 0 CA--C 1.555 1.145 0 N-CA-C 109.017 -0.734 . . . . 74.42 109.017 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -81.72 23.4 0.77 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.815 2.344 . . . . 73.0 113.76 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.72 88.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.341 1.456 . . . . 70.03 110.316 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -112.85 1.86 15.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.669 0.788 . . . . 64.41 111.263 -174.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.17 140.42 24.96 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 108.306 -0.998 . . . . 71.22 108.306 171.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.63 -69.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.288 1.992 . . . . 74.21 112.026 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -142.76 -175.89 4.67 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.19 0.996 . . . . 74.35 109.369 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.1 t 55.97 83.84 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.803 1.241 . . . . 63.42 111.535 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -160.44 -32.03 0.06 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.757 0.823 . . . . 75.43 110.103 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.2 t 62.22 75.98 0.4 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.188 1.395 . . . . 75.31 110.335 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.12 -53.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.362 2.708 . . . . 74.14 113.182 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 56.34 -87.45 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.717 1.207 . . . . 73.22 110.68 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.949 0.9 . . . . 74.13 109.551 176.03 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 CA--C 1.562 1.442 0 CA-C-O 119.128 -0.463 . . . . 70.13 110.061 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 51.41 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 52.42 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 63.4 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 65.11 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.02 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 72.34 110.254 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 60.33 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 50.24 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 64.52 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 62.2 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.608 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 61.44 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.489 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 70.13 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 63.25 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 72.24 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG12 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 65.5 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 41.52 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 61' ' ' LEU . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 52.0 107.957 176.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 62.22 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 58' ' ' ASP . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 72.13 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 61.44 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 72.34 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 73.24 110.538 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 32.53 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 61.24 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 71.23 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 65.53 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 45.24 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 63.51 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 73.44 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 74.33 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 71.12 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 44.44 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 63.43 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 CA--C 1.558 1.262 0 CA-C-O 119.115 -0.469 . . . . 70.13 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.691 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 51.41 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 52.42 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 73.14 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.2 tp-100 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 63.4 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 65.11 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.02 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 72.34 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.643 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.5 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 60.33 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 50.24 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 64.52 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 62.2 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 61.44 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 70.13 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.55 HG21 HG12 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 63.25 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 72.24 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 65.5 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 52.0 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 62.22 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 72.13 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 61.44 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 72.34 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 73.24 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 32.53 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 61.24 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 71.23 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 65.53 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 45.24 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 63.51 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 73.44 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 74.33 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 71.12 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 93' ' ' THR . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 44.44 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 90' ' ' PHE . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 63.43 111.26 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.11 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 111.798 0.296 . . . . 70.13 111.798 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 51.41 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 52.42 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 73.14 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 63.4 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 65.11 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.02 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 72.34 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HG3' HG22 ' A' ' 46' ' ' VAL . 13.6 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 60.33 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 50.24 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 64.52 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 62.2 110.122 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 61.44 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.552 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 70.13 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 63.25 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 72.24 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 65.5 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 41.52 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 52.0 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 62.22 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 72.13 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 61.44 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 72.34 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 73.24 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 32.53 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 61.24 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 71.23 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 65.53 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 45.24 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 63.51 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 73.44 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' NE2' HG21 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 74.33 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 71.12 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.46 ' HZ ' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 44.44 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 63.43 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.11 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 mp . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 119.577 -0.249 . . . . 70.13 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 51.41 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 52.42 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 73.14 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 63.4 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 65.11 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.02 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 72.34 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 60.33 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 50.24 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.45 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 64.52 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 62.2 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 61.44 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 70.13 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 63.25 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 72.24 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 31.0 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 65.5 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 41.52 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 52.0 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 62.22 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 72.13 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 61.44 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 72.34 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG3' HD21 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 73.24 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 32.53 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 61.24 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 71.23 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 65.53 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 45.24 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 63.51 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 73.44 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 74.33 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 71.12 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 44.44 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 63.43 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 119.093 -0.48 . . . . 70.13 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 51.41 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 52.42 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 73.14 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.459 ' HG2' ' HE2' ' A' ' 74' ' ' TYR . 7.2 tp-100 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 63.4 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 65.11 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.02 111.459 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 72.34 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 60.33 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 50.24 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 64.52 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 62.2 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 61.44 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.547 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 70.13 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 63.25 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 23.0 tm0? -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 65.5 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 41.52 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 52.0 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 62.22 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 72.13 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 61.44 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD21 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 72.34 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 73.24 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 32.53 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 61.24 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 71.23 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 65.53 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 45.24 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 63.51 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 73.44 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 74.33 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 71.12 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 44.44 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 63.43 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.11 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 47' ' ' THR . 8.4 mp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.612 0.226 . . . . 70.13 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 51.41 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 52.42 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 73.14 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 63.4 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 65.11 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.02 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 72.34 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 60.33 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 43' ' ' THR . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 50.24 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.498 HG21 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 64.52 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 62.2 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.711 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 61.44 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 70.13 111.776 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 63.25 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 72.24 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 65.5 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 41.52 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 52.0 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 62.22 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 72.13 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 61.44 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 72.34 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 73.24 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 32.53 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 61.24 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 71.23 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 65.53 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 45.24 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 63.51 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 73.44 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 74.33 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 71.12 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 44.44 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 63.43 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.11 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.554 1.106 0 CA-C-O 119.176 -0.44 . . . . 70.13 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 51.41 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 52.42 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 73.14 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG11 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 63.4 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 65.11 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.02 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.634 ' HB2' HG21 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 72.34 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 60.33 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 50.24 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 64.52 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 62.2 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 61.44 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 70.13 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 63.25 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 72.24 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 65.5 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 41.52 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 52.0 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 62.22 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 72.13 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 61.44 110.135 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 72.34 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 73.24 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 32.53 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 61.24 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 71.23 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 65.53 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 45.24 110.648 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 63.51 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 73.44 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 74.33 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 71.12 112.672 -169.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' HA ' HG22 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 44.44 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 63.43 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.11 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 32.0 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.761 -0.638 . . . . 70.13 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 51.41 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 52.42 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 73.14 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 63.4 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 65.11 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.02 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.739 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 72.34 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.683 ' HG3' HG22 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 60.33 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 50.24 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 64.52 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 62.2 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 61.44 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.616 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 70.13 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 63.25 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.709 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 65.5 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 41.52 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 52.0 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.679 ' HB2' HD11 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 62.22 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 72.13 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 61.44 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 72.34 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 43.3 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 73.24 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 32.53 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 61.24 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 71.23 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.481 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 65.53 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 45.24 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 63.51 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 73.44 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 74.33 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 71.12 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 44.44 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 63.43 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.11 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 119.11 -0.471 . . . . 70.13 109.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 51.41 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 52.42 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 73.14 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 63.4 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 65.11 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.02 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 72.34 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 60.33 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 50.24 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 64.52 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 62.2 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG22 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 61.44 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 70.13 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 63.25 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 72.24 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 65.5 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 41.52 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB2' ' H ' ' A' ' 61' ' ' LEU . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 52.0 109.17 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 62.22 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 72.13 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.415 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 61.44 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 72.34 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 73.24 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 32.53 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 61.24 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 71.23 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 65.53 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 45.24 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 63.51 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 73.44 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 74.33 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 71.12 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 44.44 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 63.43 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.11 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.559 1.307 0 CA-C-O 119.401 -0.333 . . . . 70.13 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.683 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 51.41 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 52.42 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 73.14 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 63.4 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 65.11 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.02 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 72.34 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.761 ' HG3' HG22 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 60.33 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 43' ' ' THR . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 50.24 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 64.52 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 62.2 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 61.44 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.683 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.512 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 70.13 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 63.25 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 72.24 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' HG12 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 65.5 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 41.52 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 52.0 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 62.22 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 72.13 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 61.44 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 72.34 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HB3' HD22 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 73.24 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 32.53 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 61.24 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 71.23 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 65.53 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 45.24 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 63.51 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 73.44 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 74.33 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 71.12 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 44.44 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 63.43 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.11 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.6 mp . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 119.376 -0.345 . . . . 70.13 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 51.41 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 52.42 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 73.14 110.05 -176.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HD21 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 63.4 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 65.11 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.02 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 72.34 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.591 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.2 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 60.33 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 50.24 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 64.52 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 62.2 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG22 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 61.44 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 70.13 111.092 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.416 HG21 HG12 ' A' ' 46' ' ' VAL . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 63.25 109.16 166.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 72.24 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 65.5 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 41.52 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 52.0 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 62.22 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 72.13 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 61.44 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 72.34 109.933 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 73.24 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 32.53 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 61.24 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 71.23 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 65.53 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 45.24 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 63.51 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 73.44 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' ND1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 74.33 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 71.12 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 44.44 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' ND1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 63.43 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.11 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 51.41 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 52.42 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 73.14 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 63.4 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.601 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 65.11 110.534 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.02 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 72.34 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.661 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 60.33 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 50.24 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 64.52 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 62.2 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 61.44 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.539 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 70.13 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 63.25 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 72.24 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 65.5 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 41.52 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 52.0 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 62.22 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 72.13 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.426 ' HA ' HD21 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 61.44 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 72.34 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 73.24 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 32.53 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 61.24 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 71.23 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 65.53 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 45.24 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 63.51 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 73.44 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 74.33 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 71.12 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 44.44 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 63.43 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.11 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.563 1.449 0 CA-C-O 119.714 -0.184 . . . . 70.13 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 51.41 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 52.42 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 73.14 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 63.4 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 65.11 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.02 112.417 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 72.34 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 60.33 112.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD21 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 50.24 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 41' ' ' LEU . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 64.52 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 62.2 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 61.44 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 70.13 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 63.25 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 72.24 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 65.5 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 41.52 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 52.0 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 62.22 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 72.13 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 61.44 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 72.34 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA2' ' ND1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' HD21 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 73.24 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 32.53 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 61.24 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 71.23 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 65.53 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 45.24 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 63.51 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 73.44 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 74.33 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 71.12 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 44.44 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 63.43 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.11 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 tt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.778 -0.629 . . . . 70.13 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 51.41 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 52.42 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 73.14 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 63.4 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 65.11 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.02 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.49 ' HB2' HG21 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 72.34 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 60.33 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 50.24 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 64.52 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 62.2 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 61.44 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.693 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 70.13 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.526 HG21 HG12 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 63.25 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 72.24 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB2' HD13 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 65.5 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 52.0 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 62.22 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 72.13 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 61.44 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 72.34 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 73.24 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 32.53 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 61.24 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 71.23 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 65.53 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 45.24 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 63.51 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 73.44 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 74.33 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 71.12 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 44.44 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 63.43 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.11 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 119.516 -0.278 . . . . 70.13 110.368 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 51.41 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 52.42 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 73.14 110.614 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 63.4 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 65.11 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.02 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 72.34 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 60.33 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 50.24 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 64.52 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 62.2 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 61.44 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.482 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 70.13 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 63.25 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 72.24 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 65.5 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 41.52 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 52.0 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 62.22 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 72.13 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 61.44 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 72.34 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 73.24 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 32.53 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 61.24 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 71.23 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 65.53 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 45.24 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 63.51 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 73.44 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 86' ' ' ARG . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 74.33 109.392 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 71.12 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 44.44 110.42 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 63.43 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.11 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 118.677 -0.678 . . . . 70.13 109.655 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' HD12 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 51.41 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.571 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 52.42 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 73.14 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 63.4 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 65.11 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.02 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' HE1' HD11 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 72.34 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.67 ' HG3' HG22 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 60.33 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 50.24 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 64.52 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 62.2 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.67 HG22 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 61.44 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 70.13 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 63.25 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 72.24 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.824 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 65.5 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 41.52 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 52.0 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 62.22 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 72.13 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 61.44 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 72.34 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 73.24 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 32.53 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 61.24 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 71.23 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 65.53 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 45.24 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 63.51 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 73.44 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 74.33 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 71.12 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 44.44 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 63.43 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.11 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp . . . . . 0 CA--C 1.559 1.289 0 CA-C-O 119.507 -0.282 . . . . 70.13 111.426 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 51.41 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 52.42 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 73.14 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 HD21 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 63.4 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.02 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 72.34 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 60.33 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 50.24 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 41' ' ' LEU . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 64.52 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 62.2 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 61.44 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 70.13 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 63.25 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 72.24 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 65.5 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 41.52 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 52.0 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 62.22 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 72.13 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 61.44 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 72.34 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 73.24 111.016 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 32.53 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 61.24 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 71.23 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 65.53 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 45.24 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 63.51 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 73.44 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 74.33 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 71.12 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 44.44 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 63.43 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.11 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 112.996 0.739 . . . . 70.13 112.996 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.43 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 51.41 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 52.42 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 73.14 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 63.4 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 65.11 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.02 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.523 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 72.34 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 60.33 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 50.24 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 41' ' ' LEU . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 64.52 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 62.2 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 37' ' ' TRP . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 61.44 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 70.13 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 63.25 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 72.24 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 65.5 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 41.52 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 52.0 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 62.22 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 72.13 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 61.44 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 72.34 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 62.7 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 73.24 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 32.53 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 61.24 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 71.23 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 65.53 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 45.24 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.478 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 63.51 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 73.44 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 74.33 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 71.12 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 44.44 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 63.43 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.11 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 CA--C 1.563 1.47 0 CA-C-O 119.249 -0.405 . . . . 70.13 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 51.41 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 52.42 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG22 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 73.14 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 29' ' ' ILE . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 63.4 109.381 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 65.11 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.02 111.501 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.689 ' HB2' HG21 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 72.34 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.638 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 60.33 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB2' HG23 ' A' ' 43' ' ' THR . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 50.24 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 64.52 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 62.2 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 61.44 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 70.13 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 63.25 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 72.24 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 65.5 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 41.52 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 52.0 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 62.22 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 72.13 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 61.44 109.782 175.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 72.34 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 44.8 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 73.24 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 32.53 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 61.24 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 71.23 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 65.53 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 45.24 111.091 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 63.51 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 73.44 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 74.33 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 71.12 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 44.44 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 63.43 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.11 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.8 tp . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 119.017 -0.516 . . . . 70.13 110.613 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 51.41 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 52.42 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 73.14 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 63.4 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 65.11 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.02 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.458 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 72.34 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.0 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 60.33 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 50.24 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 64.52 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 62.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 61.44 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HA ' HH21 ' A' ' 48' ' ' ARG . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 70.13 110.925 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 63.25 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 72.24 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 65.5 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 41.52 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 52.0 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 62.22 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 72.13 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 61.44 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 72.34 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.443 HG22 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 33' ' ' VAL . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 73.24 110.311 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 32.53 112.129 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 61.24 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 71.23 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 65.53 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 45.24 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 63.51 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 73.44 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 74.33 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 71.12 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' HZ ' HG22 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 44.44 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 63.43 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.846 -0.419 . . . . 55.13 112.657 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m 57.27 42.89 24.5 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.457 1.103 . . . . 74.43 110.457 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp 53.27 90.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.986 1.314 . . . . 74.22 109.838 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -69.65 110.5 4.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.363 -0.835 . . . . 74.04 109.369 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -78.45 -4.61 49.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.928 0.891 . . . . 71.43 111.808 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.81 -40.85 61.15 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.938 1.295 . . . . 73.44 112.783 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.53 32.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.118 0.567 . . . . 63.03 111.241 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -78.49 17.24 0.69 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.576 0.954 . . . . 72.24 113.576 -168.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -76.48 77.66 3.19 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 118.769 0.713 . . . . 71.24 110.779 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -135.04 91.18 2.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.848 1.259 . . . . 50.22 108.211 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -82.5 -65.18 1.04 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.081 -0.711 . . . . 75.23 109.081 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 55.87 84.02 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.644 1.177 . . . . 71.1 112.523 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 21' ' ' GLU . 13.4 p -93.99 112.19 56.14 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.315 -0.624 . . . . 53.01 109.315 172.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.68 -40.75 72.73 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.902 3.068 . . . . 63.22 113.685 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.78 162.85 40.36 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.639 0.776 . . . . 65.32 109.069 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.79 85.86 0.12 Allowed 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.601 -0.889 . . . . 52.31 108.601 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.9 -9.69 23.83 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.887 -1.506 . . . . 75.54 111.188 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -162.44 122.01 1.43 Allowed Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 107.242 -1.392 . . . . 75.23 107.242 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.39 88.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.687 2.925 . . . . 60.43 113.603 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.39 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.757 1.223 . . . . 32.24 108.896 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HB2' HG21 ' A' ' 13' ' ' THR . 49.0 mt-10 -109.81 159.41 17.23 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.371 1.068 . . . . 71.04 109.456 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.39 21.29 11.87 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.887 0.875 . . . . 71.35 110.499 -168.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 2.2 m-20 -114.73 6.12 15.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.022 1.329 . . . . 72.01 110.33 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.39 120.76 67.91 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 122.872 0.469 . . . . 70.13 110.061 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 51.41 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 52.42 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 63.4 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 65.11 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.02 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 72.34 110.254 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 60.33 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 50.24 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 64.52 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 62.2 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.608 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 61.44 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 23' ' ' ASP . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.489 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 70.13 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 63.25 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 72.24 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG12 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 65.5 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 41.52 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 61' ' ' LEU . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 52.0 107.957 176.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 62.22 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 58' ' ' ASP . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 72.13 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 61.44 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 72.34 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 73.24 110.538 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 32.53 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 61.24 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 71.23 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 65.53 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 45.24 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 63.51 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 73.44 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 74.33 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 71.12 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 44.44 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 63.43 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m -76.24 139.24 41.07 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.63 109.14 4.16 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.328 -0.99 . . . . 74.25 108.328 167.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . 30.2 m -62.97 161.12 32.6 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.456 0.702 . . . . 65.52 110.264 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.28 -26.39 20.34 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.75 2.3 . . . . 64.13 114.641 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 99' ' ' VAL . 51.9 t 59.49 78.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.759 1.224 . . . . 63.41 110.084 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -37.2 78.79 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.502 -0.772 . . . . 64.02 110.531 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.82 100.59 28.41 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 124.011 0.924 . . . . 71.11 108.624 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.5 93.03 0.11 Allowed 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.614 2.209 . . . . 74.21 111.499 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -60.33 -41.26 93.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.997 0.919 . . . . 74.34 110.558 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 p -155.34 85.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 124.56 1.144 . . . . 61.12 109.154 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -158.77 97.8 1.45 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.265 -0.88 . . . . 75.43 109.349 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.7 m -90.59 116.42 66.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.57 0.748 . . . . 75.31 109.868 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -86.46 172.99 6.69 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.022 2.481 . . . . 74.14 112.574 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.52 128.1 34.94 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.105 0.562 . . . . 73.22 110.999 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 123.413 0.685 . . . . 74.13 110.469 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.687 -0.565 . . . . 55.13 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -79.07 119.56 22.38 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.753 0.821 . . . . 74.43 110.406 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -76.05 102.89 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.549 0.69 . . . . 74.22 109.46 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.02 135.43 43.1 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.073 -0.714 . . . . 74.04 109.073 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -82.05 -10.56 59.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.293 -0.412 . . . . 71.43 110.121 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -54.28 -55.0 32.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.747 1.219 . . . . 73.44 113.323 -168.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.27 71.58 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.583 0.552 . . . . 63.03 111.859 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.02 -2.4 50.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.585 0.587 . . . . 72.24 112.585 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.82 87.87 0.36 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.687 0.795 . . . . 71.24 110.805 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 51.61 47.41 24.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.877 1.271 . . . . 50.22 109.827 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 13' ' ' THR . 78.2 ttt180 -60.94 99.53 0.09 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.437 -1.256 . . . . 75.23 111.895 -167.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -86.58 81.46 8.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.693 -0.685 . . . . 71.1 110.76 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 11' ' ' ARG . 5.1 t -156.42 86.01 3.04 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 123.811 0.844 . . . . 53.01 109.518 169.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.76 -168.99 0.65 Allowed 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.566 2.177 . . . . 63.22 111.457 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.05 126.94 29.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.731 0.412 . . . . 65.32 111.769 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.76 -62.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.355 -1.35 . . . . 52.31 107.355 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -128.48 152.92 47.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.93 -1.032 . . . . 75.54 108.89 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 54.95 59.28 10.77 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.626 1.171 . . . . 75.23 112.207 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -82.07 101.52 1.14 Allowed 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.747 2.298 . . . . 60.43 110.47 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.37 -49.1 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.604 1.162 . . . . 32.24 109.287 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.45 150.19 39.98 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 107.659 -1.238 . . . . 71.04 107.659 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 77.86 8.06 2.55 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.643 1.577 . . . . 71.35 111.324 -169.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 18.8 m-20 -105.37 19.33 20.76 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.206 1.003 . . . . 72.01 110.658 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.78 138.17 33.2 Favored Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.949 0.9 . . . . 70.13 111.756 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.691 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 51.41 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 52.42 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 73.14 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 7.2 tp-100 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 63.4 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 65.11 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.02 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 72.34 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.643 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.5 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 60.33 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 50.24 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 64.52 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 62.2 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 61.44 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 70.13 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.55 HG21 HG12 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 63.25 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 72.24 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 65.5 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 52.0 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 62.22 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 72.13 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 61.44 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 72.34 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 73.24 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 32.53 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 61.24 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 71.23 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 65.53 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 45.24 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 63.51 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 73.44 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 74.33 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 71.12 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 93' ' ' THR . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 44.44 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 90' ' ' PHE . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 63.43 111.26 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.11 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m -86.28 141.91 28.92 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -73.53 112.21 9.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.983 -0.747 . . . . 74.25 108.983 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.78 140.27 97.79 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.435 0.694 . . . . 65.52 110.492 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.55 -32.55 83.32 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.262 2.641 . . . . 64.13 113.741 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.03 132.88 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 116.054 -0.521 . . . . 63.41 110.048 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -158.39 166.88 31.17 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.437 0.695 . . . . 64.02 110.615 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -90.41 149.11 40.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 108.195 -1.039 . . . . 71.11 108.195 165.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.54 80.73 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.432 2.088 . . . . 74.21 112.654 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -116.31 153.25 32.3 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.957 0.903 . . . . 74.34 109.024 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.87 107.41 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-O 121.678 0.752 . . . . 61.12 110.748 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -131.11 123.94 29.68 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.091 -1.077 . . . . 75.43 108.091 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 p -81.82 112.6 36.13 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.264 0.626 . . . . 75.31 110.635 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.81 52.51 3.78 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.957 2.438 . . . . 74.14 110.938 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.15 71.02 10.94 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.152 -0.931 . . . . 73.22 110.201 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.458 1.103 . . . . 74.13 109.199 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.079 0 CA-C-O 119.983 -0.343 . . . . 55.13 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -93.86 62.97 3.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.771 0.796 . . . . 74.43 110.877 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.77 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.795 -0.817 . . . . 74.22 108.795 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -75.81 82.83 2.75 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 109.219 -0.66 . . . . 74.04 109.219 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.89 -22.63 66.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.964 -1.016 . . . . 71.43 110.108 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -56.55 -17.64 9.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.07 1.348 . . . . 73.44 113.022 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.66 76.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.642 0.777 . . . . 63.03 111.471 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.65 86.71 2.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.985 0.914 . . . . 72.24 109.146 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -72.9 -45.39 58.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.012 0.925 . . . . 71.24 111.682 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 71.55 146.31 0.07 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.399 1.48 . . . . 50.22 111.8 -172.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -83.99 -20.85 32.11 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.55 0.74 . . . . 75.23 110.656 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.18 124.77 33.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.142 0.977 . . . . 71.1 108.568 170.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 10.2 t -69.45 122.52 85.88 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.846 0.858 . . . . 53.01 111.828 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 4.3 Cg_exo -75.6 73.79 4.53 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.834 2.356 . . . . 63.22 112.647 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 56.58 -79.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.298 1.439 . . . . 65.32 112.871 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.53 -49.95 9.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.586 0.755 . . . . 52.31 110.615 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 60.85 -91.06 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.981 1.313 . . . . 75.54 111.655 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -103.13 154.19 37.8 Favored Pre-proline 0 N--CA 1.491 1.588 0 C-N-CA 123.542 0.737 . . . . 75.23 110.243 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.05 136.22 55.36 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.421 2.081 . . . . 60.43 110.354 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.22 21.7 5.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.709 1.204 . . . . 32.24 111.868 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.32 -56.9 2.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.9 -0.778 . . . . 71.04 108.9 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.13 25.95 9.93 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.993 0.917 . . . . 71.35 110.53 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 6.2 m-20 -109.55 23.91 13.79 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.8 . . . . 72.01 110.483 -172.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp -56.76 141.15 74.61 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 122.994 0.517 . . . . 70.13 111.798 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 51.41 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 52.42 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 73.14 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 63.4 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 65.11 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.02 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 72.34 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HG3' HG22 ' A' ' 46' ' ' VAL . 13.6 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 60.33 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 50.24 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 64.52 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 62.2 110.122 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 61.44 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.552 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 70.13 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 63.25 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 72.24 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 65.5 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 41.52 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 52.0 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 62.22 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 72.13 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 61.44 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 72.34 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 73.24 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 32.53 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 61.24 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 71.23 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 65.53 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 45.24 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 63.51 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 73.44 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' NE2' HG21 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 74.33 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 71.12 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.46 ' HZ ' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 44.44 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 63.43 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.11 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m -77.24 133.36 38.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.61 131.3 36.66 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.252 0.621 . . . . 74.25 110.161 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.39 154.61 93.47 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 115.633 -0.712 . . . . 65.52 110.493 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.88 -13.71 39.26 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.063 1.842 . . . . 64.13 113.105 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.0 t 66.6 100.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.931 1.292 . . . . 63.41 110.933 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.5 101.1 4.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.031 0.532 . . . . 64.02 109.857 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -75.42 142.81 75.16 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.446 -0.797 . . . . 71.11 109.514 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -58.94 109.84 0.58 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.85 2.367 . . . . 74.21 111.021 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -59.77 123.47 17.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.174 0.59 . . . . 74.34 111.461 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.4 m -74.56 -9.29 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.696 0.798 . . . . 61.12 111.574 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 170.25 15.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.338 0.655 . . . . 75.43 110.253 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -141.35 115.12 6.91 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.259 0.624 . . . . 75.31 109.884 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.7 131.61 7.31 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.442 2.095 . . . . 74.14 111.492 169.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.25 -164.38 1.14 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.826 0.85 . . . . 73.22 109.843 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.89 1.276 . . . . 74.13 109.394 -174.123 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.668 -0.573 . . . . 55.13 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m -125.28 152.61 44.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.912 0.885 . . . . 74.43 108.725 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.35 122.11 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.765 0.426 . . . . 74.22 110.573 174.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -79.59 126.95 31.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.909 -0.587 . . . . 74.04 109.744 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -86.92 -37.66 17.42 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.954 0.902 . . . . 71.43 111.669 -171.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -17.01 61.12 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.369 0.668 . . . . 73.44 112.188 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.43 69.68 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.541 0.736 . . . . 63.03 111.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.7 88.11 1.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.222 -1.029 . . . . 72.24 108.222 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -155.5 138.39 15.35 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.403 -0.817 . . . . 71.24 109.829 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 163.27 20.51 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.122 0.487 . . . . 50.22 110.237 177.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG2' ' H ' ' A' ' 12' ' ' HIS . 49.4 ttt180 -148.71 -164.56 2.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.505 -1.295 . . . . 75.23 107.505 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 51.7 m80 71.65 173.22 0.31 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.367 1.067 . . . . 71.1 111.137 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -131.67 116.16 15.99 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 108.851 -0.796 . . . . 53.01 108.851 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.01 9.84 3.9 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.927 2.418 . . . . 63.22 112.42 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.78 79.26 0.86 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.432 0.693 . . . . 65.32 109.338 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.8 82.39 3.88 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.364 0.665 . . . . 52.31 109.78 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.24 142.82 56.79 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.057 -0.52 . . . . 75.54 110.716 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 70.1 m-20 -72.84 110.96 9.53 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 124.22 0.95 . . . . 75.23 108.626 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' ASN . 7.7 Cg_endo -86.17 64.27 5.16 Favored 'Trans proline' 0 C--N 1.372 1.774 0 C-N-CA 123.176 2.584 . . . . 60.43 111.249 -173.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.4 -19.14 36.56 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.744 -1.117 . . . . 32.24 112.39 -173.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.76 -156.63 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.763 0.825 . . . . 71.04 111.332 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.64 55.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.735 0.814 . . . . 71.35 111.263 175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -97.35 10.79 38.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.177 0.991 . . . . 72.01 110.736 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 mp -58.07 143.29 78.62 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.607 0.763 . . . . 70.13 110.38 -178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 51.41 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 52.42 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 73.14 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 63.4 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 65.11 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.02 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 72.34 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 60.33 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 50.24 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 64.52 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 62.2 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 61.44 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 70.13 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 63.25 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 72.24 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 24.3 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 65.5 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 41.52 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 52.0 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 62.22 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 72.13 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 61.44 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 72.34 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG3' HD21 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 73.24 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 32.53 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 61.24 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 71.23 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 65.53 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 45.24 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 63.51 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 73.44 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 74.33 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 71.12 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 44.44 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 63.43 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m -61.49 140.88 58.01 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.94 135.83 57.72 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 123.63 0.581 . . . . 74.25 109.56 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.485 ' HB ' HG22 ' A' ' 101' ' ' VAL . 15.5 m -61.99 118.51 39.81 Favored Pre-proline 0 CA--C 1.557 1.213 0 O-C-N 123.565 0.54 . . . . 65.52 110.388 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.6 -11.33 29.56 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.529 2.153 . . . . 64.13 112.705 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 99' ' ' VAL . 34.7 m -73.02 166.93 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.995 0.918 . . . . 63.41 111.266 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.54 116.76 11.25 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 109.379 -0.6 . . . . 64.02 109.379 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.471 HE21 HG23 ' A' ' 99' ' ' VAL . 24.4 mp0 -72.34 159.12 86.23 Favored Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 123.674 0.79 . . . . 71.11 110.385 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.29 133.22 55.87 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.627 2.218 . . . . 74.21 111.654 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -62.65 -42.31 99.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.531 0.732 . . . . 74.34 111.412 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.41 84.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.16 -0.927 . . . . 61.12 110.22 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -93.87 128.1 39.97 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.4 -0.963 . . . . 75.43 108.4 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -123.44 99.76 39.33 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.038 . . . . 75.31 108.474 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.48 90.09 0.08 OUTLIER 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 122.888 2.392 . . . . 74.14 111.628 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.93 90.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.152 -0.931 . . . . 73.22 109.024 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 74.13 110.08 -172.527 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.725 -0.55 . . . . 55.13 111.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 p -145.67 117.65 8.27 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.156 0.982 . . . . 74.43 109.12 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.8 mp -104.37 26.48 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.779 0.832 . . . . 74.22 109.031 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.7 109.72 4.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.474 0.71 . . . . 74.04 109.216 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -67.89 -25.14 65.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.294 0.638 . . . . 71.43 111.691 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.78 -49.73 19.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.105 0.962 . . . . 73.44 111.35 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.63 -56.01 4.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.102 0.561 . . . . 63.03 110.099 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.73 107.76 17.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.347 -0.842 . . . . 72.24 108.751 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -148.58 15.75 0.99 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.312 0.645 . . . . 71.24 109.803 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 59.92 40.69 18.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.841 1.257 . . . . 50.22 111.707 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -75.32 134.0 41.13 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.978 -0.556 . . . . 75.23 111.546 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -137.25 152.0 49.35 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.597 1.159 . . . . 71.1 107.887 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -112.52 97.14 39.28 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.74 . . . . 53.01 110.543 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.46 173.81 11.16 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.775 2.316 . . . . 63.22 111.703 164.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -72.75 81.97 1.15 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.459 0.647 . . . . 65.32 109.399 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.61 -38.85 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.746 1.219 . . . . 52.31 108.679 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.38 -169.95 2.26 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.187 -0.915 . . . . 75.54 111.096 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 2.2 m-20 -57.28 120.79 42.51 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.469 1.107 . . . . 75.23 111.266 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' ASN . 33.3 Cg_exo -59.54 83.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.729 2.953 . . . . 60.43 114.206 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.84 -76.11 0.58 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.881 0.872 . . . . 32.24 110.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -77.51 -39.6 45.64 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.244 0.617 . . . . 71.04 109.698 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.41 70.56 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.405 -1.27 . . . . 71.35 113.279 -172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.9 t70 -96.26 19.56 11.72 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.057 -0.519 . . . . 72.01 110.525 -173.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp -56.34 127.58 71.61 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 123.645 0.778 . . . . 70.13 110.309 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 51.41 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 52.42 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 73.14 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.459 ' HG2' ' HE2' ' A' ' 74' ' ' TYR . 7.2 tp-100 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 63.4 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 65.11 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.02 111.459 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 72.34 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 60.33 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 50.24 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 64.52 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 62.2 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 61.44 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.547 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 70.13 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 63.25 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 23.0 tm0? -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 65.5 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 41.52 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 52.0 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 62.22 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 72.13 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 61.44 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD21 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 72.34 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 73.24 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 32.53 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 61.24 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 71.23 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 65.53 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 45.24 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 63.51 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 73.44 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 74.33 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 71.12 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 44.44 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 63.43 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.11 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -63.96 141.43 58.77 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.12 107.06 2.17 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.015 -0.735 . . . . 74.25 109.015 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 101' ' ' VAL . 35.4 m -64.1 149.39 94.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 123.801 0.688 . . . . 65.52 109.974 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -64.88 14.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.463 2.775 . . . . 64.13 116.201 -170.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 99' ' ' VAL . 15.1 m -74.41 -20.74 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.044 0.537 . . . . 63.41 111.05 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -170.66 1.31 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.265 0.626 . . . . 64.02 111.609 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -127.78 159.44 66.29 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 123.744 0.818 . . . . 71.11 110.087 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.65 90.34 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.301 2.001 . . . . 74.21 111.846 172.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -116.09 127.69 55.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.958 -1.127 . . . . 74.34 107.958 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.24 51.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.369 0.667 . . . . 61.12 112.035 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -73.74 -24.5 59.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.155 0.582 . . . . 75.43 110.087 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.0 p -72.8 147.14 88.73 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.831 0.852 . . . . 75.31 109.922 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -55.66 -31.92 81.56 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.28 2.653 . . . . 74.14 113.892 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.17 74.58 0.42 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.646 1.179 . . . . 73.22 108.909 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.764 -1.107 . . . . 74.13 111.052 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 CA-C-O 120.381 -0.121 . . . . 55.13 112.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.5 m -81.9 122.84 28.25 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.596 0.758 . . . . 74.43 110.181 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -78.91 159.65 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 122.748 0.419 . . . . 74.22 110.246 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -81.16 78.44 7.95 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.046 -0.724 . . . . 74.04 109.046 176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.424 ' HA ' HD23 ' A' ' 8' ' ' LEU . 30.4 p90 -84.12 -25.9 29.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.947 -1.024 . . . . 71.43 110.119 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.56 -16.34 61.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.558 0.743 . . . . 73.44 110.404 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.87 92.48 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.632 -0.507 . . . . 63.03 109.632 168.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 mm? -75.64 -38.94 58.47 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.687 -0.688 . . . . 72.24 110.052 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -94.3 83.96 4.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.247 0.619 . . . . 71.24 110.661 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -104.35 101.89 11.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.492 -0.929 . . . . 50.22 108.492 175.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.8 42.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.999 0.92 . . . . 75.23 109.965 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.07 146.84 24.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.798 0.332 . . . . 71.1 110.656 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -113.45 142.49 27.64 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 107.103 -1.443 . . . . 53.01 107.103 168.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HG2' ' HB3' ' A' ' 49' ' ' GLU . 78.8 Cg_exo -52.35 147.18 29.66 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.823 2.349 . . . . 63.22 113.282 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.89 -53.17 59.49 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.531 0.732 . . . . 65.32 110.954 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.91 -39.46 14.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.415 0.686 . . . . 52.31 111.601 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 18' ' ' ASN . 38.7 mt-10 58.68 -157.89 0.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.27 1.028 . . . . 75.54 112.122 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 51.0 m-80 69.33 179.36 0.05 OUTLIER Pre-proline 0 C--N 1.37 1.46 0 C-N-CA 124.036 0.935 . . . . 75.23 110.918 171.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 18' ' ' ASN . 96.1 Cg_endo -77.04 46.51 1.97 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.915 1.744 . . . . 60.43 113.163 166.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.92 2.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.806 0.442 . . . . 32.24 110.597 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.34 -86.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.291 0.636 . . . . 71.04 110.257 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -175.25 68.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.944 0.878 . . . . 71.35 109.154 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.39 19.42 18.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.95 -1.023 . . . . 72.01 110.934 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 47' ' ' THR . 8.4 mp -57.81 137.84 82.97 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 70.13 111.612 -169.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 51.41 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 52.42 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 73.14 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 63.4 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 65.11 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.02 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 72.34 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 60.33 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 43' ' ' THR . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 50.24 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.498 HG21 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 64.52 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 62.2 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.711 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 61.44 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.626 ' HB3' ' HG2' ' A' ' 14' ' ' PRO . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 70.13 111.776 -172.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 63.25 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 72.24 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 65.5 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 41.52 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 52.0 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 62.22 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 72.13 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 61.44 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 72.34 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 73.24 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 32.53 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 61.24 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 71.23 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 65.53 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 45.24 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 63.51 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 73.44 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 74.33 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 71.12 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 44.44 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 63.43 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.11 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -72.76 130.53 40.71 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.26 103.35 1.23 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.099 -1.074 . . . . 74.25 108.099 172.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.72 153.42 87.26 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.327 0.651 . . . . 65.52 112.075 -169.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.77 -40.2 7.87 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 124.472 3.448 . . . . 64.13 115.504 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.5 99.95 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 121.528 0.68 . . . . 63.41 109.369 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 43.2 tt0 -60.4 150.77 29.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.056 1.342 . . . . 64.02 112.343 -170.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.602 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 38.7 mt-30 64.38 52.76 1.24 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.902 1.281 . . . . 71.11 110.844 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 16.5 Cg_exo -67.8 -43.36 5.35 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 123.119 2.546 . . . . 74.21 111.717 -173.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -113.85 28.89 8.41 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.757 1.223 . . . . 74.34 109.643 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 65.52 102.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.259 1.424 . . . . 61.12 110.06 -168.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' HB3' ' HG2' ' A' ' 103' ' ' GLN . 28.7 t60 -73.45 99.85 3.09 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.732 -1.21 . . . . 75.43 107.732 171.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -66.3 149.22 98.1 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 115.316 -0.856 . . . . 75.31 110.203 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.84 120.31 8.14 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 121.767 1.645 . . . . 74.14 109.188 167.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.96 -50.69 68.3 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.948 0.78 . . . . 73.22 111.583 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.364 1.066 . . . . 74.13 109.156 175.399 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 CA-C-O 119.692 -0.504 . . . . 55.13 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 p -87.61 164.85 15.85 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.497 0.648 . . . . 74.43 111.382 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.38 94.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.557 0.694 . . . . 74.22 110.811 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.18 132.34 48.23 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.486 -0.779 . . . . 74.04 110.201 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -61.72 -32.61 72.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.29 1.036 . . . . 71.43 112.627 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -87.82 -33.68 18.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.074 0.549 . . . . 73.44 111.363 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.96 65.08 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.014 0.525 . . . . 63.03 110.713 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -76.14 -39.25 55.48 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.948 0.899 . . . . 72.24 109.796 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 4.7 ttmp? -76.84 99.25 5.1 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.346 -0.843 . . . . 71.24 110.941 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -157.18 -38.42 0.07 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.936 -0.575 . . . . 50.22 110.206 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 61.07 32.21 19.76 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.297 0.998 . . . . 75.23 110.46 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -62.24 102.32 0.29 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.805 -1.089 . . . . 71.1 108.207 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 m -51.57 111.5 2.45 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 124.792 1.308 . . . . 53.01 110.66 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.59 46.61 1.96 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.183 2.588 . . . . 63.22 111.813 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.84 74.49 1.61 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.182 0.993 . . . . 65.32 108.359 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.47 -174.6 0.6 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.204 -1.362 . . . . 52.31 109.536 -168.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.47 54.6 0.66 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 122.157 0.979 . . . . 75.54 109.486 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.33 170.34 15.16 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 114.62 -1.173 . . . . 75.23 110.608 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.6 84.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 122.685 2.257 . . . . 60.43 111.949 167.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.27 -66.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.23 1.412 . . . . 32.24 108.304 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -74.09 -24.51 59.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.076 0.769 . . . . 71.04 113.076 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.92 57.42 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.37 0.605 . . . . 71.35 110.506 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.63 27.66 5.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.037 1.335 . . . . 72.01 109.403 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.78 150.99 34.33 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 123.602 0.761 . . . . 70.13 111.519 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 51.41 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 52.42 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 73.14 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG11 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 63.4 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 65.11 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.02 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.634 ' HB2' HG21 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 72.34 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 60.33 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 50.24 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 64.52 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 62.2 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 61.44 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 70.13 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 63.25 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 72.24 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 65.5 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 41.52 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 52.0 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 62.22 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 72.13 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 61.44 110.135 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 72.34 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 73.24 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 32.53 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 61.24 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 71.23 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 65.53 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 45.24 110.648 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 63.51 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 73.44 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 74.33 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 71.12 112.672 -169.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' HA ' HG22 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 44.44 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 63.43 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.11 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m -77.56 136.19 38.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.25 122.96 25.8 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 107.782 -1.192 . . . . 74.25 107.782 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.36 153.56 92.44 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.25 0.62 . . . . 65.52 110.637 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.34 25.36 0.58 Allowed 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.66 2.24 . . . . 64.13 113.475 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.5 t 66.17 107.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.933 0 C-N-CA 125.789 1.636 . . . . 63.41 110.788 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -71.54 -40.46 70.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.687 0.795 . . . . 64.02 109.75 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.35 154.33 72.09 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 124.505 1.122 . . . . 71.11 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.55 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.388 2.644 0 C-N-CA 123.878 3.052 . . . . 74.21 114.139 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -90.92 -176.68 4.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.506 1.123 . . . . 74.34 108.581 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.49 82.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.748 0.819 . . . . 61.12 110.145 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -145.3 156.69 43.96 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.385 1.474 . . . . 75.43 108.848 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.3 p -133.71 96.76 16.26 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.788 -0.449 . . . . 75.31 109.788 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.45 91.42 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.478 2.118 . . . . 74.14 111.739 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.33 175.36 5.65 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.697 -1.138 . . . . 73.22 110.148 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 119.156 -0.45 . . . . 74.13 110.291 176.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.081 -0.407 . . . . 55.13 112.081 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 m -144.72 100.88 3.58 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.956 0.903 . . . . 74.43 109.101 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.1 tt -71.98 139.12 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.37 -0.974 . . . . 74.22 108.37 169.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.46 87.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.346 0.658 . . . . 74.04 111.496 -172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -72.91 -32.75 65.54 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.712 -0.676 . . . . 71.43 109.334 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.29 -40.06 84.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.832 1.253 . . . . 73.44 111.126 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.8 78.65 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.537 0.523 . . . . 63.03 110.627 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp 68.28 -72.76 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.253 1.421 . . . . 72.24 111.757 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.27 98.04 5.96 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.313 -1.736 . . . . 71.24 106.313 175.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -66.43 128.19 35.23 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.584 -0.895 . . . . 50.22 108.584 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -143.4 145.3 32.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.007 0.432 . . . . 75.23 111.295 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -176.42 -175.73 0.7 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.397 1.479 . . . . 71.1 108.722 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -67.21 169.97 7.46 Favored Pre-proline 0 CA--C 1.568 1.638 0 C-N-CA 123.878 0.871 . . . . 53.01 112.229 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.9 Cg_endo -60.51 -15.11 34.27 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 122.805 2.337 . . . . 63.22 113.878 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.7 101.46 0.09 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.831 0.852 . . . . 65.32 111.17 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.21 -159.67 0.67 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.22 1.008 . . . . 52.31 109.135 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 10.0 mp0 -74.94 -176.29 2.87 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.213 0.605 . . . . 75.54 110.706 171.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -62.15 145.91 92.93 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 123.165 0.586 . . . . 75.23 110.99 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 23' ' ' ASP . 77.8 Cg_exo -52.56 155.29 10.34 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 123.45 2.767 . . . . 60.43 113.134 172.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 79.59 -16.97 0.62 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.408 1.483 . . . . 32.24 113.214 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -103.83 -88.37 0.42 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.138 0.575 . . . . 71.04 110.662 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -88.49 6.94 35.36 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.062 0.458 . . . . 71.35 111.945 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 13.3 t70 -83.51 2.36 37.34 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.06 0.944 . . . . 72.01 110.17 175.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 32.0 tp -49.72 128.58 19.86 Favored Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.571 1.548 . . . . 70.13 111.039 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 51.41 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 52.42 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 73.14 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 63.4 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 65.11 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.02 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.739 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 72.34 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.683 ' HG3' HG22 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 60.33 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 50.24 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 64.52 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 62.2 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 61.44 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.616 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 70.13 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 63.25 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.709 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 65.5 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 41.52 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 52.0 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.679 ' HB2' HD11 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 62.22 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 72.13 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 61.44 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 72.34 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 43.3 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 73.24 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 32.53 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 61.24 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 71.23 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.481 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 65.53 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 45.24 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 63.51 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 73.44 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 74.33 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 71.12 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 44.44 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 63.43 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.11 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -55.38 147.52 17.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.99 131.87 31.94 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.51 0.724 . . . . 74.25 109.845 171.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.4 t -61.64 113.36 8.05 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 124.599 1.187 . . . . 65.52 110.465 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.33 170.87 12.56 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.875 2.384 . . . . 64.13 111.878 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.3 t 73.84 -58.38 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.795 1.238 . . . . 63.41 110.659 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -78.76 26.11 0.25 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.11 0.964 . . . . 64.02 112.569 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.59 98.6 11.27 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.858 0.863 . . . . 71.11 108.777 172.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.38 26.22 0.56 Allowed 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.081 2.521 . . . . 74.21 112.681 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -70.62 93.43 0.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.751 0.82 . . . . 74.34 111.175 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 t 48.85 81.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.761 1.624 . . . . 61.12 113.39 166.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.69 -41.14 88.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.941 0.496 . . . . 75.43 111.177 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -112.63 95.6 33.27 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.249 -0.649 . . . . 75.31 109.249 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -84.36 8.65 4.51 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.696 2.264 . . . . 74.14 113.008 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.58 126.71 11.31 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.553 -0.906 . . . . 73.22 108.553 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.641 -0.874 . . . . 74.13 108.641 177.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.972 -0.451 . . . . 55.13 111.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 p -89.7 -17.85 27.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.516 0.726 . . . . 74.43 111.397 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm 56.36 88.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.578 1.151 . . . . 74.22 110.046 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.51 99.8 1.02 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.196 0.598 . . . . 74.04 109.895 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -73.5 -7.02 50.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.382 0.673 . . . . 71.43 112.684 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -85.89 -29.73 23.43 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.183 0.593 . . . . 73.44 109.904 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.86 71.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.791 0.837 . . . . 63.03 111.465 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.14 137.64 33.43 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.671 -0.863 . . . . 72.24 108.671 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -146.41 117.89 7.98 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.032 0.533 . . . . 71.24 109.822 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -82.6 142.62 31.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.92 0.888 . . . . 50.22 110.041 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.1 165.67 11.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.486 0.715 . . . . 75.23 109.269 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 17.7 m-70 -73.74 159.97 32.2 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.905 -0.776 . . . . 71.1 108.905 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -95.04 99.93 4.94 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.154 0.582 . . . . 53.01 110.382 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 98.2 Cg_endo -84.64 126.09 3.43 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.845 2.363 . . . . 63.22 112.434 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -168.06 145.38 4.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.287 0.635 . . . . 65.32 109.405 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.16 132.06 56.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.144 0.578 . . . . 52.31 109.875 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -123.08 -155.93 0.68 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.15 0.98 . . . . 75.54 109.549 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -113.27 84.15 7.18 Favored Pre-proline 0 N--CA 1.484 1.272 0 N-CA-C 107.628 -1.249 . . . . 75.23 107.628 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -96.53 112.82 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 123.358 2.705 . . . . 60.43 113.505 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.73 -77.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 112.092 0.404 . . . . 32.24 112.092 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.74 -34.87 6.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.849 0.46 . . . . 71.04 112.211 -166.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.26 -17.12 63.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.866 0.365 . . . . 71.35 111.269 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.61 -6.09 57.74 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.409 -0.814 . . . . 72.01 111.579 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.42 125.65 82.54 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.089 0.556 . . . . 70.13 109.842 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 51.41 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 52.42 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 73.14 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 63.4 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 65.11 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.02 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 72.34 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 60.33 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 50.24 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 64.52 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 62.2 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG22 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 61.44 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 70.13 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 63.25 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 72.24 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 65.5 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 41.52 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB2' ' H ' ' A' ' 61' ' ' LEU . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 52.0 109.17 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 62.22 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 72.13 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.415 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 61.44 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 72.34 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 73.24 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 32.53 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 61.24 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 71.23 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 65.53 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 45.24 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 63.51 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 73.44 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 74.33 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 71.12 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 44.44 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 63.43 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.11 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m -85.9 144.01 27.9 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.28 116.07 4.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.006 -0.739 . . . . 74.25 109.006 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -63.42 124.46 84.45 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.225 0.61 . . . . 65.52 112.273 -170.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.74 -16.0 11.81 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.217 1.945 . . . . 64.13 112.176 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.4 p -89.79 163.85 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.82 0.848 . . . . 63.41 109.394 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -73.35 83.24 1.42 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.016 0.526 . . . . 64.02 110.188 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 6.8 tp60 -153.4 47.32 0.37 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.646 0.778 . . . . 71.11 109.468 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 6.0 Cg_endo -85.29 84.73 1.29 Allowed 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 122.698 2.265 . . . . 74.21 111.215 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -82.37 64.7 7.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.473 1.13 . . . . 74.34 109.772 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.97 137.24 57.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-N 113.432 -1.713 . . . . 61.12 107.391 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -166.51 93.68 0.5 Allowed 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.956 -1.127 . . . . 75.43 107.956 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -122.87 80.99 49.76 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.411 0.684 . . . . 75.31 110.424 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.28 76.55 3.87 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.73 2.287 . . . . 74.14 110.192 171.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -34.03 72.71 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.295 -0.866 . . . . 73.22 111.192 -176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.286 -1.005 . . . . 74.13 108.286 170.148 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.458 -0.634 . . . . 55.13 112.074 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 m -62.33 -46.19 89.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.757 0.823 . . . . 74.43 110.34 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.75 132.86 48.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 106.995 -1.483 . . . . 74.22 106.995 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.66 77.09 6.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.198 0.599 . . . . 74.04 109.748 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.98 -32.66 74.05 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.782 -0.644 . . . . 71.43 109.937 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 pt20 -75.06 -14.48 60.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.898 0.879 . . . . 73.44 112.237 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 -17.5 50.04 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 118.194 0.452 . . . . 63.03 110.986 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.35 -11.13 60.56 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.82 0.848 . . . . 72.24 112.584 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -74.01 92.39 2.13 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 122.679 1.228 . . . . 71.24 108.966 173.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 3.9 mmp_? -93.69 162.85 13.77 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.32 -1.309 . . . . 50.22 109.84 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -70.22 170.85 10.81 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.571 0.748 . . . . 75.23 111.809 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.505 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 19.1 p80 -123.25 110.62 15.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.259 0.624 . . . . 71.1 109.667 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -151.2 148.64 22.95 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.942 1.297 . . . . 53.01 107.951 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.2 79.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.51 2.14 . . . . 63.22 111.02 164.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -178.77 161.03 1.2 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 65.32 108.507 -167.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.89 59.91 2.73 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.095 0.958 . . . . 52.31 111.108 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.7 -41.91 82.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.936 0.894 . . . . 75.54 109.719 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 8.6 t30 -157.74 139.59 10.06 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 113.398 -1.728 . . . . 75.23 107.319 175.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.83 77.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.558 1.724 0 C-N-CA 123.228 2.618 . . . . 60.43 112.845 168.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.55 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.38 1.472 . . . . 32.24 109.322 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 12.1 tp10 -83.03 123.16 29.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.899 -0.592 . . . . 71.04 110.821 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.45 9.92 2.91 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.874 1.27 . . . . 71.35 112.668 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 47' ' ' THR . 21.2 t70 -103.68 18.11 22.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.857 1.263 . . . . 72.01 110.247 -166.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.45 127.91 93.36 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 124.508 1.123 . . . . 70.13 110.754 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.683 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 51.41 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 52.42 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 73.14 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 63.4 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 65.11 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.02 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 72.34 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.761 ' HG3' HG22 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 60.33 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 43' ' ' THR . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 50.24 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 64.52 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 62.2 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 61.44 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.683 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.512 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 70.13 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 63.25 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 72.24 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' HG12 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 65.5 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 41.52 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 52.0 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 62.22 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 72.13 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 61.44 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 72.34 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HB3' HD22 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 73.24 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 32.53 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 61.24 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 71.23 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 65.53 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 45.24 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 63.51 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 73.44 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 74.33 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 71.12 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 44.44 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 63.43 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.11 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -65.77 149.73 49.67 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.94 160.34 33.05 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.424 -0.584 . . . . 74.25 109.424 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 101' ' ' VAL . 24.9 t -63.35 124.75 85.36 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.628 0.771 . . . . 65.52 109.479 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.96 2.71 5.26 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.551 2.167 . . . . 64.13 113.253 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.551 ' H ' HG12 ' A' ' 99' ' ' VAL . 22.0 m -136.12 -177.51 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 63.41 111.131 -170.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 62.55 -88.56 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.637 1.575 . . . . 64.02 112.141 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -158.16 81.61 2.92 Favored Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 109.028 -0.73 . . . . 71.11 109.028 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -92.45 24.04 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.761 0 C-N-CA 123.256 2.637 . . . . 74.21 112.75 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -117.59 -171.69 2.09 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.869 0.868 . . . . 74.34 109.208 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t 68.5 14.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 125.43 1.492 . . . . 61.12 111.156 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -118.44 155.26 31.08 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.018 0.927 . . . . 75.43 110.205 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 109' ' ' PRO . 43.1 p -65.42 124.42 87.09 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.226 0.61 . . . . 75.31 110.479 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 108' ' ' SER . 29.2 Cg_exo -62.36 103.67 0.32 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.99 2.46 . . . . 74.14 112.019 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -75.09 131.44 40.54 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.259 1.024 . . . . 73.22 111.208 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.481 -0.933 . . . . 74.13 108.481 175.502 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 111.853 -0.499 . . . . 55.13 111.853 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.9 p -82.02 152.26 26.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 122.807 0.443 . . . . 74.43 110.429 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.85 167.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 122.889 0.476 . . . . 74.22 109.896 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.59 108.83 13.43 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.54 -0.541 . . . . 74.04 109.54 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -85.65 -27.57 25.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.413 0.685 . . . . 71.43 110.353 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -53.36 -50.49 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.158 1.383 . . . . 73.44 113.796 -167.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.37 70.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.166 0.587 . . . . 63.03 111.659 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 58.88 83.92 0.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.157 1.383 . . . . 72.24 109.706 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -98.96 62.74 1.32 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.173 -0.921 . . . . 71.24 111.006 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -140.8 103.99 4.61 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.363 -0.977 . . . . 50.22 108.363 170.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -148.92 168.33 23.34 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.83 1.252 . . . . 75.23 108.404 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.0 m170 62.01 -154.85 0.35 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.883 -0.784 . . . . 71.1 108.883 -173.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -108.79 92.37 10.38 Favored Pre-proline 0 N--CA 1.48 1.034 0 N-CA-C 108.688 -0.856 . . . . 53.01 108.688 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.04 -8.43 23.6 Favored 'Trans proline' 0 C--N 1.391 2.783 0 C-N-CA 122.595 2.197 . . . . 63.22 113.002 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -64.88 -65.63 0.65 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.589 0.756 . . . . 65.32 109.974 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.42 -159.61 0.59 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.202 0.601 . . . . 52.31 110.371 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.48 -79.09 0.16 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.446 0.698 . . . . 75.54 110.79 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -132.77 149.56 73.31 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.489 0.716 . . . . 75.23 109.913 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 24.8 Cg_exo -65.32 138.83 57.21 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.361 2.041 . . . . 60.43 110.955 165.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 71.22 21.06 4.86 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.615 1.166 . . . . 32.24 112.117 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -85.1 -67.03 0.83 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.651 0.78 . . . . 71.04 110.288 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.22 22.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.039 0.935 . . . . 71.35 109.656 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 48' ' ' ARG . 9.4 p-10 -99.62 21.94 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.113 1.365 . . . . 72.01 111.859 -164.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.6 mp -61.72 144.55 92.96 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 123.146 0.578 . . . . 70.13 110.473 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 51.41 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 52.42 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 73.14 110.05 -176.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HD21 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 63.4 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 65.11 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.02 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 72.34 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.591 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.2 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 60.33 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 50.24 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 64.52 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 62.2 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG22 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 61.44 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 70.13 111.092 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.416 HG21 HG12 ' A' ' 46' ' ' VAL . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 63.25 109.16 166.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 72.24 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 65.5 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 41.52 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 52.0 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 62.22 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 72.13 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 61.44 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 72.34 109.933 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 73.24 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 32.53 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 61.24 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 71.23 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 65.53 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 45.24 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 63.51 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 73.44 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' ND1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 74.33 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 71.12 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 44.44 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' ND1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 63.43 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.11 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m -91.08 154.2 19.56 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.3 116.39 3.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 108.697 -0.853 . . . . 74.25 108.697 169.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 103' ' ' GLN . 95.2 t -63.37 108.96 2.05 Favored Pre-proline 0 CA--C 1.556 1.18 0 O-C-N 124.279 0.987 . . . . 65.52 110.372 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.08 -67.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.075 2.516 . . . . 64.13 112.344 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.0 m -135.34 -34.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.571 0.748 . . . . 63.41 111.444 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.89 83.46 5.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.887 0.475 . . . . 64.02 109.9 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' HG11 ' A' ' 99' ' ' VAL . 43.1 mt-30 -80.29 119.29 76.01 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-N 115.33 -0.85 . . . . 71.11 110.036 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.57 84.12 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 121.842 1.695 . . . . 74.21 109.716 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -67.61 89.08 0.24 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.65 -1.159 . . . . 74.34 110.565 -173.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.65 146.73 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 107.364 -1.347 . . . . 61.12 107.364 166.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -72.83 80.51 1.15 Allowed 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.7 0.762 . . . . 75.43 110.578 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -129.9 112.21 17.34 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.111 1.364 . . . . 75.31 107.801 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.69 94.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.757 2.971 . . . . 74.14 114.275 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.57 115.67 25.58 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.726 -1.213 . . . . 73.22 107.726 172.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 124.842 1.257 . . . . 74.13 108.941 -169.303 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.974 0 N-CA-C 113.403 0.121 . . . . 55.13 113.403 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -94.03 -172.78 2.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.327 0.651 . . . . 74.43 110.129 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 mm 66.08 59.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-O 123.375 1.56 . . . . 74.22 108.342 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.52 111.25 15.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 112.972 -1.922 . . . . 74.04 109.352 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -64.18 -22.47 66.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.108 0.563 . . . . 71.43 111.086 177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.75 -44.04 97.23 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.78 0.832 . . . . 73.44 109.407 169.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.19 65.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.58 0.752 . . . . 63.03 111.755 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.87 97.42 5.98 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.42 -0.585 . . . . 72.24 109.42 171.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.54 37.67 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.455 -0.943 . . . . 71.24 108.455 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -56.22 -49.16 74.9 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.593 1.157 . . . . 50.22 111.838 -165.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? 68.77 158.97 0.16 Allowed 'General case' 0 CA--C 1.558 1.267 0 O-C-N 124.67 1.231 . . . . 75.23 112.603 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 71.89 -7.89 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.938 1.295 . . . . 71.1 113.041 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m 51.46 79.66 0.33 Allowed Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 125.786 1.634 . . . . 53.01 113.017 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 -171.97 0.84 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.529 2.152 . . . . 63.22 111.959 162.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.5 -28.93 52.28 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.883 -0.599 . . . . 65.32 110.199 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.02 -8.81 58.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.094 0.958 . . . . 52.31 111.814 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.58 -177.75 5.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.877 0.871 . . . . 75.54 109.547 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -56.51 122.33 49.59 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.303 0.641 . . . . 75.23 109.847 172.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.65 107.72 0.27 Allowed 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.732 2.288 . . . . 60.43 112.95 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' O ' HG21 ' A' ' 47' ' ' THR . . . -150.32 -49.26 0.13 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.768 1.227 . . . . 32.24 107.878 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 134.8 41.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.91 -1.144 . . . . 71.04 107.91 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.85 13.03 4.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.515 1.526 . . . . 71.35 111.943 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.45 25.83 11.28 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.696 0.798 . . . . 72.01 109.254 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.89 137.98 87.69 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 51.41 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 52.42 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 73.14 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 63.4 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.601 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 65.11 110.534 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.02 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 72.34 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.661 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 60.33 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 50.24 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 64.52 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 62.2 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 61.44 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.539 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 70.13 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 63.25 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 72.24 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 65.5 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 41.52 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 52.0 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 62.22 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 72.13 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.426 ' HA ' HD21 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 61.44 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 72.34 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 73.24 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 32.53 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 61.24 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 71.23 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 65.53 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 45.24 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 63.51 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 73.44 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 74.33 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 71.12 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 44.44 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 63.43 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.11 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m -71.53 123.55 22.68 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' HB2' ' OE1' ' A' ' 103' ' ' GLN . 3.8 p-10 -72.19 141.44 49.05 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.632 -0.877 . . . . 74.25 108.632 173.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.59 131.32 42.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.355 -0.98 . . . . 65.52 108.355 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.83 15.41 0.18 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 123.439 2.759 . . . . 64.13 115.18 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.54 -167.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.502 0.721 . . . . 63.41 109.618 172.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -73.64 79.72 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.93 -0.767 . . . . 64.02 108.93 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.407 ' HG2' ' HD2' ' A' ' 104' ' ' PRO . 15.5 tm0? -109.6 134.29 20.62 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.483 1.113 . . . . 71.11 109.138 -175.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' A' ' 103' ' ' GLN . 1.6 Cg_exo -27.91 -47.81 0.1 Allowed 'Trans proline' 0 C--N 1.393 2.915 1 C-N-CA 126.061 4.507 . . . . 74.21 117.043 -174.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -140.02 87.0 2.12 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 108.238 -1.023 . . . . 74.34 108.238 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.32 95.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.444 -0.947 . . . . 61.12 108.444 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -44.96 85.36 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.757 0.823 . . . . 75.43 110.356 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.5 t 64.04 97.01 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 O-C-N 125.019 1.45 . . . . 75.31 110.885 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.54 -40.1 73.2 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.611 2.874 . . . . 74.14 114.366 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.93 -163.44 1.27 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.666 1.187 . . . . 73.22 108.932 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 118.636 -0.697 . . . . 74.13 109.208 176.443 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 CA-C-O 119.536 -0.591 . . . . 55.13 112.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.7 m -72.2 121.93 20.18 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 117.339 0.57 . . . . 74.43 110.516 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.5 115.41 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.055 -0.72 . . . . 74.22 109.055 173.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.62 101.68 4.32 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.343 -0.984 . . . . 74.04 108.343 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.61 -32.21 70.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.48 0.312 . . . . 71.43 111.562 -176.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -70.59 -18.47 62.9 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.178 0.591 . . . . 73.44 111.917 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.38 -32.93 58.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.453 1.101 . . . . 63.03 111.812 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.07 75.05 9.02 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.446 -0.946 . . . . 72.24 108.446 172.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 1.5 tmtp? -100.88 133.9 44.66 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.824 -1.176 . . . . 71.24 107.824 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.4 ppt_? -157.24 166.41 33.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.932 0.893 . . . . 50.22 110.011 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -102.52 157.39 16.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.635 0.774 . . . . 75.23 109.734 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 30.2 p80 -141.83 36.4 1.6 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.796 0.838 . . . . 71.1 109.106 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 p -92.05 100.01 3.14 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.372 1.069 . . . . 53.01 110.19 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 41.4 Cg_endo -89.84 -170.58 0.43 Allowed 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.306 2.004 . . . . 63.22 110.904 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.06 78.11 4.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.127 -1.064 . . . . 65.32 108.127 170.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.83 164.74 12.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.432 -1.258 . . . . 52.31 110.837 -174.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -36.07 82.34 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.008 -0.542 . . . . 75.54 111.484 176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -178.19 124.15 0.26 Allowed Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.038 1.335 . . . . 75.23 108.327 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.0 100.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.258 2.638 . . . . 60.43 113.33 174.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.22 -62.99 0.09 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.418 -0.81 . . . . 32.24 110.722 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -55.9 -47.1 78.05 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.293 0.637 . . . . 71.04 112.158 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.35 56.53 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.834 0.854 . . . . 71.35 111.135 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 47' ' ' THR . 3.0 m-20 -97.46 15.61 22.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.68 1.192 . . . . 72.01 110.862 -171.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -55.32 132.81 69.83 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.239 1.016 . . . . 70.13 110.652 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 51.41 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 52.42 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 73.14 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 63.4 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 65.11 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.02 112.417 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 72.34 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 60.33 112.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD21 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 50.24 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 41' ' ' LEU . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 64.52 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 62.2 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 61.44 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 70.13 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 63.25 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 72.24 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 65.5 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 41.52 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 52.0 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 62.22 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 72.13 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 61.44 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 72.34 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA2' ' ND1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' HD21 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 73.24 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 32.53 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 61.24 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 71.23 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 65.53 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 45.24 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 63.51 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 73.44 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 74.33 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 71.12 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 44.44 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 63.43 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.11 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m -59.86 146.21 42.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -61.7 124.4 20.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 122.973 0.509 . . . . 74.25 109.984 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 101' ' ' VAL . 17.3 m -89.95 134.93 30.91 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 122.986 0.514 . . . . 65.52 110.481 -177.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.55 2.99 7.62 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.908 2.405 . . . . 64.13 112.974 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 99' ' ' VAL . 12.1 p -89.65 150.67 3.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 123.533 0.733 . . . . 63.41 109.644 175.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -64.51 110.11 2.19 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.511 -0.552 . . . . 64.02 109.511 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.94 148.3 86.88 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 109.281 -0.636 . . . . 71.11 109.281 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HG2' HG13 ' A' ' 106' ' ' VAL . 89.9 Cg_endo -77.63 -174.84 2.38 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.207 1.938 . . . . 74.21 111.027 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -80.83 65.24 5.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.775 0.798 . . . . 74.34 110.954 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.506 HG13 ' HG2' ' A' ' 104' ' ' PRO . 26.4 m -83.75 131.79 33.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.907 -1.516 . . . . 61.12 106.907 162.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -63.42 99.35 0.2 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.897 0.856 . . . . 75.43 110.055 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 m -79.08 128.42 76.24 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 114.98 -1.009 . . . . 75.31 109.879 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.0 -28.19 31.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.262 2.642 . . . . 74.14 113.788 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -69.12 -50.33 49.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.619 0.768 . . . . 73.22 110.415 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.943 0.897 . . . . 74.13 111.212 -176.329 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 112.018 -0.433 . . . . 55.13 112.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -79.79 137.03 36.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.081 0.553 . . . . 74.43 109.987 173.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pp -72.08 168.46 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.258 0.623 . . . . 74.22 111.514 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.18 110.53 23.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.017 0.927 . . . . 74.04 109.176 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.85 -16.02 59.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.641 0.734 . . . . 71.43 109.081 170.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -74.03 -17.99 60.9 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.485 1.114 . . . . 73.44 110.409 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 11' ' ' ARG . . . -66.84 -15.36 63.56 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 123.581 0.752 . . . . 63.03 111.989 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -21.05 66.06 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.736 1.214 . . . . 72.24 111.025 176.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -98.38 152.68 19.21 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.481 0.713 . . . . 71.24 110.609 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.67 96.84 0.09 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.314 1.046 . . . . 50.22 111.136 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 8.0 ptm180 -125.9 -148.6 0.39 Allowed 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.832 -1.173 . . . . 75.23 107.832 177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -69.68 92.17 0.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.469 -0.937 . . . . 71.1 108.469 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -64.19 108.79 2.1 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.9 1.28 . . . . 53.01 111.891 -168.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.59 78.57 2.73 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.773 2.315 . . . . 63.22 113.632 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.52 127.12 33.01 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.825 -0.625 . . . . 65.32 110.173 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.1 -178.03 3.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.736 0.814 . . . . 52.31 110.798 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 164.67 24.28 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.474 -0.565 . . . . 75.54 109.474 169.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -105.78 96.14 11.93 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 109.285 -0.635 . . . . 75.23 109.285 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.26 163.5 34.66 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.248 1.965 . . . . 60.43 110.111 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' ' OG1' ' A' ' 47' ' ' THR . . . 63.6 27.73 14.99 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.739 0.815 . . . . 32.24 110.886 -170.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.22 -72.45 0.1 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.856 -0.611 . . . . 71.04 110.349 -173.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -10.6 59.99 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.032 0.933 . . . . 71.35 112.481 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -112.28 29.93 7.5 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.902 1.281 . . . . 72.01 109.851 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 tt -50.63 132.67 27.28 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 124.991 1.317 . . . . 70.13 109.913 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 51.41 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 52.42 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 73.14 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 63.4 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 65.11 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.02 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.49 ' HB2' HG21 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 72.34 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 60.33 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 50.24 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 64.52 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 62.2 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 61.44 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.693 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 70.13 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.526 HG21 HG12 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 63.25 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 72.24 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB2' HD13 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 65.5 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 52.0 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 62.22 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 72.13 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 61.44 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 72.34 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 73.24 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 32.53 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 61.24 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 71.23 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 65.53 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 45.24 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 63.51 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 73.44 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 74.33 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 71.12 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 44.44 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 63.43 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.11 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m -70.06 139.16 52.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.96 111.89 0.93 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.982 0.913 . . . . 74.25 109.848 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 101' ' ' VAL . 7.9 p -67.94 121.48 79.93 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.869 -0.789 . . . . 65.52 108.869 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.48 -29.66 50.3 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.439 2.76 . . . . 64.13 114.758 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG12 HG22 ' A' ' 99' ' ' VAL . 14.3 p -64.39 -30.35 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.983 0.42 . . . . 63.41 111.329 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 109.62 14.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 106.756 -1.572 . . . . 64.02 106.756 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -56.73 107.08 0.78 Allowed Pre-proline 0 CA--C 1.555 1.151 0 C-N-CA 124.407 1.083 . . . . 71.11 112.331 -167.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -93.66 -167.74 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.353 2.702 . . . . 74.21 112.154 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.74 -27.75 13.82 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.389 0.676 . . . . 74.34 110.32 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -90.24 139.48 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.223 0.609 . . . . 61.12 109.768 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -130.43 150.18 51.77 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.466 -0.568 . . . . 75.43 109.466 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 m -71.87 138.22 82.54 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.997 0.519 . . . . 75.31 110.341 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -60.69 -23.54 76.38 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 123.25 2.634 . . . . 74.14 113.009 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.34 149.0 30.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.137 0.975 . . . . 73.22 108.803 172.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.247 0.962 0 C-N-CA 123.84 0.856 . . . . 74.13 109.478 -172.163 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.516 -0.234 . . . . 55.13 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -74.42 108.34 7.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.094 0.557 . . . . 74.43 110.615 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.44 90.27 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.349 -1.352 . . . . 74.22 107.349 168.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.03 108.54 2.25 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.199 -0.909 . . . . 74.04 110.501 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -74.23 -17.37 60.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.269 0.628 . . . . 71.43 111.94 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -18.99 60.12 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.994 0.918 . . . . 73.44 110.045 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.2 -17.04 61.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.572 1.149 . . . . 63.03 112.508 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 10' ' ' ARG . 4.6 tt -57.08 118.59 5.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.289 1.036 . . . . 72.24 109.144 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.554 ' HE2' HG12 ' A' ' 29' ' ' ILE . 8.4 mptt -77.15 82.98 3.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.96 -0.756 . . . . 71.24 108.96 -174.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -126.99 96.36 4.6 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.81 -0.632 . . . . 50.22 109.361 -178.228 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.645 HH12 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -158.63 129.24 6.11 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.735 1.214 . . . . 75.23 108.388 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.63 174.48 5.0 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.738 0.815 . . . . 71.1 112.235 -174.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -69.55 148.2 96.88 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 115.265 -0.88 . . . . 53.01 111.044 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -49.23 144.02 18.01 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.392 2.728 . . . . 63.22 113.227 167.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.93 95.04 2.14 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.222 -1.399 . . . . 65.32 107.222 173.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.87 113.54 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.705 1.202 . . . . 52.31 110.188 -169.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.91 116.9 13.97 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.108 -0.496 . . . . 75.54 110.559 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -137.15 70.32 55.74 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 108.469 -0.937 . . . . 75.23 108.469 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.72 77.36 3.71 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.954 2.436 . . . . 60.43 111.984 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.2 -29.04 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.416 -0.811 . . . . 32.24 112.392 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.49 -69.53 0.51 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.978 0.511 . . . . 71.04 111.995 -170.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.52 36.0 1.07 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.096 0.958 . . . . 71.35 108.821 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 5.6 m-20 -94.26 -0.12 55.28 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 113.833 -1.53 . . . . 72.01 112.511 -166.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp -56.65 135.1 77.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 122.696 0.398 . . . . 70.13 110.368 -178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 51.41 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 52.42 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG12 ' HE2' ' A' ' 9' ' ' LYS . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 73.14 110.614 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 63.4 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 65.11 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.02 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 72.34 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 60.33 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 50.24 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 64.52 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 62.2 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 61.44 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.482 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 70.13 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 63.25 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 72.24 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 65.5 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 41.52 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 52.0 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 62.22 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 72.13 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 61.44 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 72.34 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 73.24 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 32.53 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 61.24 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 71.23 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 65.53 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 45.24 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 63.51 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 73.44 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' H ' ' HD2' ' A' ' 86' ' ' ARG . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 74.33 109.392 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 71.12 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.645 ' HB2' HH12 ' A' ' 11' ' ' ARG . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 44.44 110.42 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 63.43 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.11 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -87.56 142.81 27.57 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -68.08 119.77 13.22 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.419 0.688 . . . . 74.25 109.794 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 p -81.45 113.31 40.93 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.749 0.819 . . . . 65.52 109.531 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.55 -37.95 20.68 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 123.225 2.617 . . . . 64.13 112.707 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.98 57.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.676 -1.147 . . . . 63.41 111.182 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -155.41 34.74 0.37 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.115 -0.948 . . . . 64.02 108.922 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 68.13 135.21 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 125.535 1.534 . . . . 71.11 111.023 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.58 105.38 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.77 2.313 . . . . 74.21 111.608 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.46 93.27 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.905 -0.589 . . . . 74.34 109.462 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.9 m -85.45 45.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.593 0.757 . . . . 61.12 110.556 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.59 97.56 0.05 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.97 0.908 . . . . 75.43 110.384 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 t -105.65 102.13 36.38 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.321 -0.854 . . . . 75.31 109.194 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.12 114.33 3.73 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.494 2.129 . . . . 74.14 110.816 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -155.27 128.29 8.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.172 0.589 . . . . 73.22 109.68 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.959 -0.543 . . . . 74.13 110.377 178.12 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.694 -0.562 . . . . 55.13 111.694 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -82.7 -55.59 4.35 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.202 0.601 . . . . 74.43 110.524 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp 51.42 83.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 124.692 1.197 . . . . 74.22 109.992 -170.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.85 92.59 1.61 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 74.04 109.744 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -86.62 -45.97 10.53 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.822 0.849 . . . . 71.43 110.186 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.32 -26.17 68.64 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.539 1.136 . . . . 73.44 111.925 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.57 -22.26 66.15 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 122.766 0.426 . . . . 63.03 111.535 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.61 26.96 7.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.138 0.975 . . . . 72.24 110.522 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -63.99 0.96 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.963 -0.384 . . . . 71.24 109.963 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.46 148.73 30.6 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.383 -0.599 . . . . 50.22 109.383 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -119.1 143.17 47.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.019 0.928 . . . . 75.23 109.655 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 66.11 101.45 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 O-C-N 124.63 1.206 . . . . 71.1 111.322 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.9 p -78.52 147.61 72.0 Favored Pre-proline 0 CA--C 1.554 1.102 0 CA-C-N 115.224 -0.898 . . . . 53.01 109.957 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.11 136.2 36.98 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.511 2.141 . . . . 63.22 112.097 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.04 120.17 13.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.459 1.103 . . . . 65.32 109.646 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.83 -89.33 0.15 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.659 0.384 . . . . 52.31 110.922 -173.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 172.61 159.83 0.11 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.234 1.414 . . . . 75.54 108.575 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 70.87 86.03 0.12 Allowed Pre-proline 0 N--CA 1.486 1.346 0 C-N-CA 124.924 1.29 . . . . 75.23 110.744 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.81 102.22 0.33 Allowed 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.984 2.456 . . . . 60.43 113.321 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.41 -74.27 0.29 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.849 0.46 . . . . 32.24 110.187 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.91 169.7 23.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.443 0.697 . . . . 71.04 109.439 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.7 -6.24 1.96 Allowed 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 125.407 1.483 . . . . 71.35 112.36 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.9 m-20 -97.56 29.83 3.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.129 1.371 . . . . 72.01 108.453 170.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp -55.03 129.72 66.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 123.756 0.822 . . . . 70.13 109.655 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' HD12 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 51.41 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.571 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 52.42 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 73.14 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 63.4 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 65.11 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.02 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' HE1' HD11 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 72.34 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.67 ' HG3' HG22 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 60.33 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 50.24 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 64.52 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 62.2 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.67 HG22 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 61.44 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 70.13 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 63.25 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 72.24 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.824 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 65.5 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 41.52 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 52.0 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 62.22 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 72.13 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 61.44 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 72.34 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 73.24 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 32.53 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 61.24 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 71.23 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 65.53 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 45.24 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 63.51 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 73.44 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 74.33 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 71.12 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 44.44 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 63.43 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.11 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m -61.52 155.36 22.24 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.78 140.98 34.43 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.739 -0.467 . . . . 74.25 109.739 170.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -61.69 116.68 22.09 Favored Pre-proline 0 CA--C 1.556 1.184 0 O-C-N 123.537 0.523 . . . . 65.52 110.034 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -58.54 -15.51 25.58 Favored 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.423 2.748 . . . . 64.13 113.359 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.1 t -72.19 -61.39 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.51 0.724 . . . . 63.41 109.736 172.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -110.31 58.09 0.61 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.9 0.88 . . . . 64.02 109.875 -172.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.432 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 98.2 mt-30 -66.36 -41.92 44.87 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 114.519 -1.218 . . . . 71.11 111.492 171.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 103' ' ' GLN . 17.9 Cg_endo -58.31 158.23 23.29 Favored 'Trans proline' 0 C--N 1.394 2.961 0 C-N-CA 121.357 1.371 . . . . 74.21 111.509 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.09 -173.45 4.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.079 0.551 . . . . 74.34 110.293 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 66.18 62.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 122.32 1.057 . . . . 61.12 109.668 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -143.78 51.49 1.33 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.743 -1.117 . . . . 75.43 108.813 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.3 p -64.98 121.09 72.05 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 115.654 -0.703 . . . . 75.31 109.999 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -51.66 107.55 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 123.386 2.724 . . . . 74.14 112.488 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.05 -25.55 67.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 73.22 111.352 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 123.141 0.576 . . . . 74.13 109.963 175.458 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.57 -0.612 . . . . 55.13 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -99.33 65.65 1.43 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.464 0.705 . . . . 74.43 109.232 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.41 114.34 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 106.939 -1.504 . . . . 74.22 106.939 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.9 94.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.265 0.555 . . . . 74.04 111.26 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 66.7 m-85 -85.94 -5.1 59.28 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.198 -0.91 . . . . 71.43 110.535 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -56.71 18.38 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.45 -13.56 58.06 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.278 -0.874 . . . . 63.03 111.557 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 79.0 1.42 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.218 0.532 . . . . 72.24 110.188 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 5' ' ' TYR . 5.0 tmtm? -149.9 75.09 1.24 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.058 -1.46 . . . . 71.24 107.058 164.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 156.4 10.67 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.08 -1.418 . . . . 50.22 110.046 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -156.79 -169.51 3.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.329 1.452 . . . . 75.23 108.51 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -72.63 85.01 1.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 106.857 -1.534 . . . . 71.1 106.857 160.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 m -100.78 98.58 8.56 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 123.794 0.837 . . . . 53.01 109.423 -172.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.96 142.38 13.78 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.194 1.929 . . . . 63.22 112.123 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 69.29 174.48 0.29 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.831 1.253 . . . . 65.32 112.466 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.22 -85.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.046 -0.724 . . . . 52.31 109.046 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 52.14 -132.5 1.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.465 1.106 . . . . 75.54 110.955 176.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.579 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 28.4 t-20 73.8 148.92 0.12 Allowed Pre-proline 0 N--CA 1.495 1.8 0 C-N-CA 123.887 0.875 . . . . 75.23 112.402 160.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.36 -42.27 13.69 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 123.224 2.616 . . . . 60.43 113.208 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.5 -62.16 0.47 Allowed 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 125.406 1.483 . . . . 32.24 113.113 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -67.72 -12.15 59.9 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.274 -1.33 . . . . 71.04 111.932 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.57 0.51 26.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.542 0.737 . . . . 71.35 111.274 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -123.91 31.59 5.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.232 1.013 . . . . 72.01 112.297 -168.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp -58.1 154.64 28.96 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 123.29 0.636 . . . . 70.13 111.426 174.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' ' 5' ' ' TYR . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 51.41 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 52.42 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 73.14 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 HD21 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 63.4 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.02 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 72.34 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 60.33 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 50.24 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 41' ' ' LEU . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 64.52 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 62.2 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 61.44 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 70.13 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 63.25 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 72.24 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 65.5 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 41.52 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 52.0 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 62.22 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 72.13 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 61.44 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 72.34 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 73.24 111.016 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 32.53 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 61.24 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 71.23 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 65.53 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 45.24 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 63.51 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 73.44 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 74.33 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 71.12 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 44.44 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 63.43 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.11 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m -94.94 159.29 15.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.68 110.89 1.42 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.395 -0.595 . . . . 74.25 109.395 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.48 147.76 94.85 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 123.736 0.648 . . . . 65.52 109.795 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.65 -14.43 31.32 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.677 2.251 . . . . 64.13 113.667 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.9 t 68.55 151.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.201 1.401 . . . . 63.41 110.291 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 80.04 -27.09 0.15 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.359 1.463 . . . . 64.02 111.654 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -72.09 110.62 8.29 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.263 1.025 . . . . 71.11 110.056 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.99 19.93 1.32 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.341 2.694 . . . . 74.21 112.611 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.7 33.32 2.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.063 0.945 . . . . 74.34 110.688 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.0 m -114.42 105.97 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.689 1.195 . . . . 61.12 107.792 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -166.21 -30.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.469 0.708 . . . . 75.43 111.063 -168.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.3 p -62.77 166.14 8.24 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 124.021 0.928 . . . . 75.31 111.545 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.05 -10.18 0.64 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.689 2.926 . . . . 74.14 115.631 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.08 5.01 39.82 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.341 1.057 . . . . 73.22 111.054 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 125.805 1.642 . . . . 74.13 110.127 -175.776 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.808 -0.517 . . . . 55.13 111.808 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p 53.47 -86.89 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.196 1.798 . . . . 74.43 112.705 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -146.44 166.63 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.852 1.261 . . . . 74.22 109.031 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.69 87.04 2.17 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.406 -0.59 . . . . 74.04 109.406 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -86.85 -32.6 20.18 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.33 0.652 . . . . 71.43 112.102 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -85.53 -58.25 2.74 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.069 0.548 . . . . 73.44 111.364 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.15 55.11 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.499 0.319 . . . . 63.03 110.468 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.2 62.49 2.18 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.754 1.221 . . . . 72.24 109.567 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.34 74.97 10.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.403 -0.962 . . . . 71.24 108.403 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 152.28 32.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.238 -0.437 . . . . 50.22 110.441 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -157.23 119.88 3.94 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.985 -1.116 . . . . 75.23 107.985 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -64.83 -28.21 69.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.756 0.422 . . . . 71.1 110.602 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 m 64.03 82.6 0.21 Allowed Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 124.773 1.229 . . . . 53.01 111.723 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.49 78.67 0.9 Allowed 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.731 2.287 . . . . 63.22 111.506 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -156.31 171.54 20.04 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.921 -1.036 . . . . 65.32 108.839 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.01 154.0 1.65 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.854 0.862 . . . . 52.31 111.552 173.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -54.66 104.71 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.731 1.213 . . . . 75.54 110.963 -168.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 120.52 49.91 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.216 0.948 . . . . 75.23 110.315 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.03 80.13 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 123.251 2.634 . . . . 60.43 111.218 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.93 -68.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.28 -1.327 . . . . 32.24 108.846 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.41 -10.11 1.25 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.455 0.539 . . . . 71.04 112.455 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 -22.02 20.27 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.114 0.483 . . . . 71.35 110.979 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -101.59 -19.39 15.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.116 0.967 . . . . 72.01 112.695 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp -51.36 160.94 0.85 Allowed Pre-proline 0 N--CA 1.5 2.05 0 C-N-CA 124.313 1.045 . . . . 70.13 112.996 -173.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.43 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 51.41 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 52.42 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 73.14 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 63.4 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 65.11 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.02 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.523 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 72.34 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 60.33 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 50.24 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 41' ' ' LEU . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 64.52 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 62.2 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 37' ' ' TRP . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 61.44 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 70.13 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 63.25 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 72.24 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 65.5 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 41.52 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 52.0 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 62.22 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 72.13 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 61.44 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 72.34 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 62.7 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 73.24 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 32.53 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 61.24 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 71.23 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 65.53 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 45.24 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.478 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 63.51 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 73.44 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 74.33 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 71.12 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 44.44 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 63.43 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.11 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m -89.27 134.74 33.93 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.92 110.11 2.76 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.317 -0.623 . . . . 74.25 109.317 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.96 134.26 56.79 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.914 0.486 . . . . 65.52 110.057 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -82.45 -6.31 11.8 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.718 2.279 . . . . 64.13 112.057 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.67 158.08 11.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.311 1.044 . . . . 63.41 110.242 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.75 125.08 44.1 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.104 -1.073 . . . . 64.02 108.104 173.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -127.59 111.55 20.85 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 71.11 108.776 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -59.83 98.6 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.811 2.341 . . . . 74.21 111.458 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -60.95 -55.41 33.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.021 0.928 . . . . 74.34 110.615 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.4 t 40.77 84.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 126.375 1.87 . . . . 61.12 112.866 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -110.1 138.12 46.91 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.232 0.613 . . . . 75.43 110.018 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.39 143.73 28.14 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.668 0.787 . . . . 75.31 110.901 -172.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.89 -56.33 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.692 2.261 . . . . 74.14 112.437 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -110.14 -88.22 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.726 0.81 . . . . 73.22 109.836 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.377 0 C-N-CA 125.106 1.363 . . . . 74.13 112.328 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.058 -0.817 . . . . 55.13 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -144.42 94.37 2.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.545 0.738 . . . . 74.43 109.241 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tp -165.69 133.66 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.418 -0.956 . . . . 74.22 108.418 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.6 82.77 1.12 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.885 -0.413 . . . . 74.04 109.885 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -86.13 -20.37 28.75 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.153 0.981 . . . . 71.43 109.363 170.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.99 -36.32 65.3 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.127 1.371 . . . . 73.44 112.28 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -13.18 62.2 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.293 0.849 . . . . 63.03 113.293 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.76 -177.17 3.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.345 0.258 . . . . 72.24 110.503 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 tttp 76.01 9.43 3.35 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 125.007 1.323 . . . . 71.24 111.542 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -85.14 104.0 14.63 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.257 -1.016 . . . . 50.22 108.257 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -63.37 114.7 4.01 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.151 -0.931 . . . . 75.23 109.21 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.7 165.14 10.83 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 123.82 0.7 . . . . 71.1 110.649 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -54.21 141.25 51.81 Favored Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 123.885 0.874 . . . . 53.01 111.379 -174.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.37 5.88 2.13 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.741 2.294 . . . . 63.22 113.729 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -67.87 149.33 49.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.205 1.002 . . . . 65.32 110.432 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.26 -165.39 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.616 1.166 . . . . 52.31 110.929 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -66.94 148.97 51.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.689 0.395 . . . . 75.54 110.059 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -53.57 138.38 51.06 Favored Pre-proline 0 N--CA 1.484 1.247 0 C-N-CA 124.464 1.106 . . . . 75.23 112.557 -176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.55 4.15 1.15 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.48 2.787 . . . . 60.43 114.236 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.07 49.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.077 1.351 . . . . 32.24 112.306 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.97 -42.36 80.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.798 0.839 . . . . 71.04 111.797 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.56 -27.29 58.56 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.421 0.689 . . . . 71.35 111.758 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.86 11.26 34.36 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.91 0.884 . . . . 72.01 110.479 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.28 133.46 81.19 Favored Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 124.327 1.051 . . . . 70.13 111.277 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 51.41 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 52.42 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG22 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 73.14 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 29' ' ' ILE . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 63.4 109.381 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 65.11 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.02 111.501 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.689 ' HB2' HG21 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 72.34 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.638 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 60.33 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 36' ' ' LEU . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB2' HG23 ' A' ' 43' ' ' THR . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 50.24 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 64.52 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 62.2 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 61.44 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 70.13 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 63.25 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 72.24 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 65.5 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 41.52 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 52.0 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 62.22 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 72.13 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 61.44 109.782 175.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 72.34 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 44.8 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 73.24 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 32.53 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 61.24 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 71.23 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 65.53 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 45.24 111.091 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 63.51 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 73.44 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 74.33 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 71.12 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 44.44 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 63.43 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.11 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m -80.64 140.65 35.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.88 109.65 1.31 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.959 -0.756 . . . . 74.25 108.959 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.34 98.85 3.25 Favored Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 123.611 0.765 . . . . 65.52 111.057 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.96 -13.85 13.96 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.801 2.334 . . . . 64.13 113.645 -172.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.14 -48.84 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 122.929 0.492 . . . . 63.41 110.512 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -168.49 142.48 3.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.232 1.013 . . . . 64.02 108.523 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -122.52 102.66 38.92 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 108.642 -0.873 . . . . 71.11 108.642 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.57 -178.29 3.3 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.812 2.341 . . . . 74.21 112.273 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -87.94 48.98 1.72 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.258 0.623 . . . . 74.34 110.316 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.61 115.93 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 61.12 110.069 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -101.32 83.1 2.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.747 0.819 . . . . 75.43 110.344 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 24.7 p -161.41 51.08 0.33 Allowed Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 115.356 -0.838 . . . . 75.31 111.106 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 108' ' ' SER . 49.6 Cg_endo -92.97 64.61 0.54 Allowed 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 122.756 2.304 . . . . 74.14 110.581 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.18 79.0 2.98 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.187 -0.915 . . . . 73.22 110.666 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 125.203 1.401 . . . . 74.13 107.327 -177.262 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 112.101 -0.4 . . . . 55.13 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.43 72.19 8.91 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 74.43 110.928 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.39 146.35 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.518 1.127 . . . . 74.22 108.049 170.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 4.0 m-20 -88.34 89.23 7.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.348 0.659 . . . . 74.04 110.728 -170.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -65.2 -39.8 93.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.214 0.606 . . . . 71.43 111.818 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.42 -36.84 28.99 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.435 0.694 . . . . 73.44 111.684 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . . . -76.14 -35.24 59.32 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.86 0.464 . . . . 63.03 111.466 -177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.11 -35.54 59.25 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.52 -0.548 . . . . 72.24 109.52 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 67.1 8.04 5.88 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.712 1.205 . . . . 71.24 111.795 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -78.1 92.89 4.44 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 121.835 0.826 . . . . 50.22 111.049 -173.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -107.59 136.91 46.55 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.599 -2.0 . . . . 75.23 105.599 165.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -76.37 146.79 38.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.859 0.361 . . . . 71.1 111.331 -170.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -66.29 138.65 96.01 Favored Pre-proline 0 CA--C 1.556 1.179 0 CA-C-N 115.034 -0.985 . . . . 53.01 109.738 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -50.14 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.503 2.802 . . . . 63.22 113.646 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -113.57 -78.27 0.58 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.682 0.793 . . . . 65.32 109.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.28 -79.83 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.13 0.572 . . . . 52.31 110.438 -172.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' ' 18' ' ' ASN . 11.0 tt0 -164.14 -169.01 1.71 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.666 -0.494 . . . . 75.54 109.666 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.53 ' H ' ' HG2' ' A' ' 17' ' ' GLU . 8.4 m-20 -61.99 145.45 92.92 Favored Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.877 1.271 . . . . 75.23 111.524 -174.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.93 -53.87 0.81 Allowed 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.489 2.126 . . . . 60.43 110.83 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.89 -78.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.567 1.147 . . . . 32.24 108.846 169.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -21.13 0.48 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.931 0.715 . . . . 71.04 112.931 -175.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.75 -20.01 65.42 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.054 0.942 . . . . 71.35 113.396 -173.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -99.44 20.45 13.77 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 123.922 0.889 . . . . 72.01 110.154 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.8 tp -55.55 131.55 71.18 Favored Pre-proline 0 N--CA 1.497 1.898 0 C-N-CA 124.051 0.94 . . . . 70.13 110.613 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 51.41 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 52.42 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 73.14 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 63.4 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 65.11 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.02 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.458 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 72.34 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG22 ' A' ' 46' ' ' VAL . 29.0 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 60.33 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 50.24 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 64.52 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 62.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 61.44 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HA ' HH21 ' A' ' 48' ' ' ARG . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 70.13 110.925 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 63.25 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 72.24 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 65.5 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 41.52 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 52.0 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 62.22 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 72.13 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 61.44 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 72.34 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.443 HG22 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB3' HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 33' ' ' VAL . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 73.24 110.311 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 32.53 112.129 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 61.24 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 71.23 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 65.53 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 45.24 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 63.51 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 73.44 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 74.33 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 71.12 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' HZ ' HG22 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 44.44 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 63.43 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -73.14 161.28 30.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.32 146.63 53.09 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.675 0.39 . . . . 74.25 110.64 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.76 133.85 88.35 Favored Pre-proline 0 CA--C 1.555 1.145 0 N-CA-C 109.017 -0.734 . . . . 65.52 109.017 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -81.72 23.4 0.77 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.815 2.344 . . . . 64.13 113.76 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.72 88.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.341 1.456 . . . . 63.41 110.316 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -112.85 1.86 15.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.669 0.788 . . . . 64.02 111.263 -174.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.17 140.42 24.96 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 108.306 -0.998 . . . . 71.11 108.306 171.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.63 -69.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.288 1.992 . . . . 74.21 112.026 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -142.76 -175.89 4.67 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.19 0.996 . . . . 74.34 109.369 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.1 t 55.97 83.84 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.803 1.241 . . . . 61.12 111.535 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -160.44 -32.03 0.06 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.757 0.823 . . . . 75.43 110.103 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.2 t 62.22 75.98 0.4 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.188 1.395 . . . . 75.31 110.335 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.12 -53.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.362 2.708 . . . . 74.14 113.182 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 56.34 -87.45 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.717 1.207 . . . . 73.22 110.68 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.949 0.9 . . . . 74.13 109.551 176.03 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp . . . . . 0 CA--C 1.562 1.442 0 CA-C-O 119.128 -0.463 . . . . 70.13 110.061 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 51.41 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 52.42 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 63.4 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 65.11 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.02 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 72.34 110.254 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 60.33 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 50.24 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 64.52 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 62.2 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.608 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 61.44 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.489 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 70.13 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 63.25 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 72.24 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG12 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 65.5 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 41.52 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 61' ' ' LEU . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 52.0 107.957 176.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 62.22 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 58' ' ' ASP . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 72.13 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 61.44 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 72.34 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 73.24 110.538 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 32.53 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 61.24 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 71.23 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 65.53 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 45.24 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 63.51 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 73.44 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 74.33 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 71.12 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 44.44 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 63.43 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 CA--C 1.558 1.262 0 CA-C-O 119.115 -0.469 . . . . 70.13 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.691 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 51.41 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 52.42 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 73.14 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 54.2 tp60 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 63.4 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 65.11 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.02 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 72.34 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.643 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.1 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 60.33 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 50.24 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 64.52 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 62.2 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 61.44 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 70.13 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.55 HG21 HG12 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 63.25 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 72.24 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 65.5 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 52.0 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 62.22 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 72.13 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 61.44 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 72.34 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 73.24 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 32.53 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 61.24 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 71.23 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 65.53 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 45.24 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 63.51 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 73.44 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 74.33 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 71.12 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 93' ' ' THR . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 44.44 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 90' ' ' PHE . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 63.43 111.26 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.11 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 111.798 0.296 . . . . 70.13 111.798 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 51.41 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 52.42 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 73.14 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 63.4 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 65.11 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.02 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 72.34 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 45' ' ' ASN . 83.7 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 60.33 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 50.24 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 64.52 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.626 ' HA ' HE21 ' A' ' 38' ' ' GLN . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 62.2 110.122 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 61.44 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.552 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 70.13 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 63.25 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 72.24 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 65.5 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 41.52 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 52.0 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 62.22 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 72.13 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 61.44 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 72.34 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 73.24 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 32.53 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 61.24 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 71.23 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 65.53 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 45.24 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 63.51 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 73.44 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' NE2' HG21 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 74.33 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 71.12 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.46 ' HZ ' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 44.44 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 63.43 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.11 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 mp . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 119.577 -0.249 . . . . 70.13 110.38 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 51.41 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 52.42 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 73.14 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 63.4 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 65.11 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.02 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 72.34 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 60.33 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 50.24 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.45 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 64.52 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 62.2 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 61.44 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 70.13 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 63.25 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 72.24 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 31.0 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 65.5 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 41.52 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 52.0 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 62.22 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 72.13 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 61.44 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 72.34 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG3' HD21 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 73.24 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 32.53 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 61.24 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 71.23 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 65.53 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 45.24 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 63.51 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 73.44 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 74.33 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 71.12 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 44.44 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 63.43 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp . . . . . 0 CA--C 1.557 1.237 0 CA-C-O 119.093 -0.48 . . . . 70.13 110.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 51.41 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 52.42 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 73.14 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.473 HE21 HD11 ' A' ' 36' ' ' LEU . 54.8 tp60 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 63.4 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 65.11 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 HE21 ' A' ' 32' ' ' GLN . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.02 111.459 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 72.34 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 60.33 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 50.24 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 64.52 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 62.2 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 61.44 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.547 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 70.13 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 63.25 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 65.5 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 41.52 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 52.0 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 62.22 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 72.13 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 61.44 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD21 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 72.34 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 73.24 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 32.53 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 61.24 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 71.23 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 65.53 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 45.24 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 63.51 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 73.44 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 74.33 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 71.12 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 44.44 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 63.43 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.11 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 47' ' ' THR . 8.4 mp . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.612 0.226 . . . . 70.13 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 51.41 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 52.42 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 73.14 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 63.4 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 65.11 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.02 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 72.34 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 60.33 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HE21 ' A' ' 68' ' ' GLN . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 43' ' ' THR . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 50.24 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.498 HG21 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 64.52 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 62.2 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.711 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 61.44 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 70.13 111.776 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 63.25 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 72.24 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 65.5 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 41.52 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 52.0 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 62.22 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 72.13 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 61.44 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 72.34 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.572 HE21 HD21 ' A' ' 40' ' ' LEU . 1.8 mp0 -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 73.24 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 32.53 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 61.24 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 71.23 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 65.53 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 45.24 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 63.51 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 73.44 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 74.33 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 71.12 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 44.44 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 63.43 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.11 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.554 1.106 0 CA-C-O 119.176 -0.44 . . . . 70.13 111.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 51.41 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 52.42 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 73.14 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG11 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 63.4 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 65.11 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.02 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.634 ' HB2' HG21 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 72.34 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 60.33 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 50.24 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 64.52 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 62.2 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 61.44 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 70.13 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 63.25 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 72.24 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 65.5 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 41.52 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 52.0 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 62.22 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 72.13 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 61.44 110.135 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 72.34 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 73.24 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 32.53 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 61.24 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 71.23 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 65.53 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 45.24 110.648 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 63.51 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 73.44 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 74.33 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 71.12 112.672 -169.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' HA ' HG22 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 44.44 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 63.43 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.11 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 32.0 tp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 118.761 -0.638 . . . . 70.13 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 51.41 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 52.42 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 73.14 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 63.4 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 65.11 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.02 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.739 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 72.34 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.683 ' HG3' HG22 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 60.33 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 50.24 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 64.52 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 62.2 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 61.44 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.616 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 70.13 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 63.25 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.709 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 65.5 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 41.52 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 52.0 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.679 ' HB2' HD11 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 62.22 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 72.13 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 61.44 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 72.34 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HA ' HE21 ' A' ' 71' ' ' GLN . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 68' ' ' GLN . 43.2 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 73.24 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 32.53 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 61.24 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 71.23 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.481 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 65.53 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 45.24 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 63.51 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 73.44 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 74.33 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 71.12 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 44.44 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 63.43 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.11 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp . . . . . 0 CA--C 1.555 1.162 0 CA-C-O 119.11 -0.471 . . . . 70.13 109.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 51.41 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 52.42 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 73.14 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 63.4 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 65.11 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.02 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 72.34 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 60.33 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 50.24 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 64.52 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 62.2 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG22 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 61.44 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 70.13 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 63.25 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 72.24 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 65.5 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 41.52 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB2' ' H ' ' A' ' 61' ' ' LEU . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 52.0 109.17 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 62.22 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 72.13 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.415 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 61.44 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 72.34 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 73.24 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 32.53 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 61.24 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 71.23 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 65.53 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 45.24 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 63.51 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 73.44 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 74.33 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 71.12 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 44.44 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 63.43 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.11 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.559 1.307 0 CA-C-O 119.401 -0.333 . . . . 70.13 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.683 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 51.41 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 52.42 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 73.14 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 63.4 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 65.11 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.02 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 72.34 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.761 ' HG3' HG22 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 60.33 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 43' ' ' THR . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 50.24 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 64.52 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 62.2 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 61.44 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.683 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.512 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 70.13 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 63.25 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 72.24 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' HG12 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 65.5 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 41.52 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 52.0 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 62.22 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 72.13 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 61.44 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 72.34 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HB3' HD22 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 73.24 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 32.53 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 61.24 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 71.23 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 65.53 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 45.24 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 63.51 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 73.44 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 74.33 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 71.12 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 44.44 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 63.43 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.11 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.6 mp . . . . . 0 CA--C 1.549 0.926 0 CA-C-O 119.376 -0.345 . . . . 70.13 110.473 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 51.41 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 52.42 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 73.14 110.05 -176.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HD21 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 63.4 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 65.11 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.02 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 72.34 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.591 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.5 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 60.33 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 50.24 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 64.52 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 62.2 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG22 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 61.44 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 70.13 111.092 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.416 HG21 HG12 ' A' ' 46' ' ' VAL . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 63.25 109.16 166.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 72.24 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 65.5 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 41.52 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 52.0 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 62.22 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 72.13 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 61.44 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 72.34 109.933 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 73.24 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 32.53 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 61.24 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 71.23 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 65.53 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 45.24 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 63.51 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 73.44 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' ND1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 74.33 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 71.12 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 44.44 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' ND1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 63.43 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.11 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 51.41 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 52.42 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 73.14 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 63.4 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.601 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 65.11 110.534 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.02 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 72.34 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.661 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 60.33 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 50.24 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 64.52 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 62.2 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 61.44 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.539 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 70.13 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 63.25 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 72.24 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 65.5 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 41.52 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 52.0 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 62.22 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 72.13 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.426 ' HA ' HD21 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 61.44 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 72.34 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 73.24 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 32.53 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 61.24 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 71.23 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 65.53 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 45.24 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 63.51 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 73.44 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 74.33 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 71.12 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 44.44 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 63.43 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.11 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp . . . . . 0 CA--C 1.563 1.449 0 CA-C-O 119.714 -0.184 . . . . 70.13 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 51.41 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 52.42 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 73.14 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 HD11 ' A' ' 36' ' ' LEU . 55.5 tp60 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 63.4 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 65.11 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 HE21 ' A' ' 32' ' ' GLN . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.02 112.417 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 72.34 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 60.33 112.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD21 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 50.24 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 41' ' ' LEU . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 64.52 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 62.2 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 61.44 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 70.13 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 63.25 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 72.24 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 65.5 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 41.52 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 52.0 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 62.22 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 72.13 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 61.44 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 72.34 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA2' ' ND1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' HD21 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 73.24 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 32.53 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 61.24 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 71.23 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 65.53 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 45.24 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 63.51 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 73.44 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 74.33 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 71.12 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 44.44 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 63.43 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.11 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 tt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 118.778 -0.629 . . . . 70.13 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 51.41 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 52.42 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 73.14 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 63.4 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 65.11 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.02 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.49 ' HB2' HG21 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 72.34 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 60.33 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 50.24 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 64.52 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 62.2 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 61.44 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.693 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 70.13 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.526 HG21 HG12 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 63.25 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 72.24 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB2' HD13 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 65.5 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 52.0 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 62.22 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 72.13 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 61.44 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 72.34 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 73.24 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 32.53 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 61.24 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 71.23 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 65.53 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 45.24 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 63.51 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 73.44 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 74.33 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 71.12 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 44.44 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 63.43 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.11 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m . . . . . 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 119.516 -0.278 . . . . 70.13 110.368 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 51.41 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 52.42 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 73.14 110.614 -175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 63.4 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 65.11 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.02 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 72.34 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 60.33 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 50.24 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 64.52 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 62.2 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 61.44 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.482 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 70.13 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 63.25 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 72.24 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 65.5 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 41.52 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 52.0 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 62.22 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 72.13 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 61.44 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 72.34 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 73.24 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 32.53 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 61.24 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 71.23 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 65.53 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 45.24 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 63.51 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 73.44 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.501 ' HD2' ' H ' ' A' ' 86' ' ' ARG . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 74.33 109.392 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 71.12 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 44.44 110.42 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 63.43 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.11 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp . . . . . 0 CA--C 1.558 1.268 0 CA-C-O 118.677 -0.678 . . . . 70.13 109.655 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' HD12 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 51.41 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.571 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 52.42 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 73.14 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 63.4 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 65.11 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.02 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.492 ' HE1' HD11 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 72.34 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.67 ' HG3' HG22 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 60.33 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 50.24 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 64.52 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 62.2 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.67 HG22 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 61.44 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 70.13 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 63.25 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 72.24 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.824 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 65.5 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 41.52 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 52.0 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 62.22 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 72.13 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 61.44 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 72.34 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 73.24 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 32.53 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 61.24 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 71.23 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 65.53 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 45.24 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 63.51 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 73.44 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 74.33 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 71.12 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 44.44 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 63.43 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.11 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp . . . . . 0 CA--C 1.559 1.289 0 CA-C-O 119.507 -0.282 . . . . 70.13 111.426 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 51.41 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 52.42 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 73.14 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 HD21 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 63.4 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.02 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 72.34 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 60.33 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 50.24 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 41' ' ' LEU . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 64.52 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 62.2 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 61.44 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 70.13 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 63.25 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 72.24 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 65.5 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 41.52 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 52.0 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 62.22 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 72.13 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 61.44 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 72.34 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.555 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.2 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 68' ' ' GLN . 34.8 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 73.24 111.016 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 32.53 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 61.24 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 71.23 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 65.53 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 45.24 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 63.51 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 73.44 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 74.33 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 71.12 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 44.44 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 63.43 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.11 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp . . . . . 0 N--CA 1.5 2.05 0 N-CA-C 112.996 0.739 . . . . 70.13 112.996 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.43 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 51.41 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 52.42 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 73.14 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 63.4 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 65.11 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.02 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.523 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 72.34 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 60.33 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 50.24 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 41' ' ' LEU . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 64.52 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 62.2 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 37' ' ' TRP . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 61.44 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 70.13 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 63.25 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 72.24 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 65.5 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 41.52 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 52.0 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 62.22 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 72.13 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 61.44 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 72.34 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 12.0 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 73.24 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 32.53 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 61.24 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 71.23 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 65.53 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 45.24 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.478 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 63.51 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 73.44 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 74.33 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 71.12 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 44.44 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 63.43 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.11 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 CA--C 1.563 1.47 0 CA-C-O 119.249 -0.405 . . . . 70.13 111.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 51.41 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 52.42 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG22 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 73.14 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 29' ' ' ILE . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 63.4 109.381 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 65.11 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.02 111.501 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.689 ' HB2' HG21 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 72.34 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.638 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 60.33 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD21 HE21 ' A' ' 68' ' ' GLN . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB2' HG23 ' A' ' 43' ' ' THR . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 50.24 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 64.52 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 62.2 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 61.44 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 70.13 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 63.25 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 72.24 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 65.5 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 41.52 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 52.0 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 62.22 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 72.13 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 61.44 109.782 175.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 72.34 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.7 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.485 HE21 ' HA ' ' A' ' 68' ' ' GLN . 47.5 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 73.24 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 32.53 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 61.24 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 71.23 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 65.53 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 45.24 111.091 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 63.51 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 73.44 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 74.33 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 71.12 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 44.44 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 63.43 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.11 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.8 tp . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 119.017 -0.516 . . . . 70.13 110.613 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 51.41 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 52.42 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 73.14 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.429 HE22 ' HB1' ' A' ' 72' ' ' ALA . 9.7 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 63.4 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 65.11 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.02 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.458 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 72.34 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.4 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 60.33 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 50.24 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 64.52 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 62.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 61.44 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HA ' HH21 ' A' ' 48' ' ' ARG . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 70.13 110.925 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 63.25 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 72.24 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 65.5 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 41.52 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 52.0 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 62.22 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 72.13 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 61.44 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 72.34 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.443 HG22 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.5 mp0 -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 33' ' ' VAL . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 73.24 110.311 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' HE22 ' A' ' 32' ' ' GLN . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 32.53 112.129 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 61.24 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 71.23 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 65.53 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 45.24 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 63.51 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 73.44 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 74.33 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 71.12 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' HZ ' HG22 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 44.44 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 63.43 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 CA-C-O 119.846 -0.419 . . . . 55.13 112.657 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m 57.27 42.89 24.5 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 124.457 1.103 . . . . 74.43 110.457 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp 53.27 90.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.986 1.314 . . . . 74.22 109.838 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -69.65 110.5 4.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.363 -0.835 . . . . 74.04 109.369 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -78.45 -4.61 49.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.928 0.891 . . . . 71.43 111.808 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.81 -40.85 61.15 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.938 1.295 . . . . 73.44 112.783 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.53 32.85 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.118 0.567 . . . . 63.03 111.241 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -78.49 17.24 0.69 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.576 0.954 . . . . 72.24 113.576 -168.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -76.48 77.66 3.19 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 118.769 0.713 . . . . 71.24 110.779 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -135.04 91.18 2.72 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.848 1.259 . . . . 50.22 108.211 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -82.5 -65.18 1.04 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.081 -0.711 . . . . 75.23 109.081 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 55.87 84.02 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.644 1.177 . . . . 71.1 112.523 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 21' ' ' GLU . 13.4 p -93.99 112.19 56.14 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.315 -0.624 . . . . 53.01 109.315 172.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.68 -40.75 72.73 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.902 3.068 . . . . 63.22 113.685 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -151.78 162.85 40.36 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.639 0.776 . . . . 65.32 109.069 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.79 85.86 0.12 Allowed 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.601 -0.889 . . . . 52.31 108.601 169.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.9 -9.69 23.83 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.887 -1.506 . . . . 75.54 111.188 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -162.44 122.01 1.43 Allowed Pre-proline 0 CA--C 1.553 1.081 0 N-CA-C 107.242 -1.392 . . . . 75.23 107.242 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.39 88.28 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 123.687 2.925 . . . . 60.43 113.603 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.39 -68.1 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.757 1.223 . . . . 32.24 108.896 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HB2' HG21 ' A' ' 13' ' ' THR . 49.0 mt-10 -109.81 159.41 17.23 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.371 1.068 . . . . 71.04 109.456 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.39 21.29 11.87 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 123.887 0.875 . . . . 71.35 110.499 -168.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' ' HB ' ' A' ' 47' ' ' THR . 2.2 m-20 -114.73 6.12 15.5 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.022 1.329 . . . . 72.01 110.33 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.39 120.76 67.91 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 122.872 0.469 . . . . 70.13 110.061 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 50.4 Cg_exo -55.59 122.64 12.1 Favored 'Trans proline' 0 C--N 1.383 2.366 0 C-N-CA 123.168 2.579 . . . . 73.12 113.158 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -112.7 107.98 16.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.338 0.655 . . . . 74.32 109.739 -176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.97 154.99 7.68 Favored Glycine 0 C--N 1.341 0.85 0 N-CA-C 111.72 -0.552 . . . . 51.41 111.72 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.62 -38.08 86.32 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.045 0.938 . . . . 52.42 111.544 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.8 mm -74.15 -41.23 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.085 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 17.8 mp0 -62.53 -35.1 78.33 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.755 0.422 . . . . 75.3 110.781 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -78.17 -31.87 49.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.635 0.774 . . . . 73.43 111.38 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.33 -50.62 62.98 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.377 -0.601 . . . . 73.41 109.377 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.71 -42.02 93.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.095 -0.957 . . . . 63.4 110.295 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.06 71.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.009 0.524 . . . . 71.3 111.326 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -57.95 -45.75 86.16 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.837 0.711 . . . . 65.11 111.735 -176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.37 -37.15 71.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.467 0.707 . . . . 71.02 111.184 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.7 m0 -64.27 -37.83 88.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.489 0.316 . . . . 72.34 110.254 174.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 46' ' ' VAL . 75.7 mt-30 -67.43 -18.68 65.19 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.188 0.595 . . . . 60.33 112.409 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 64.9 mm-40 -84.87 -59.41 2.35 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.192 0.597 . . . . 74.12 110.456 177.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.62 -41.15 76.04 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.755 0.822 . . . . 74.24 111.962 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.45 -22.58 54.43 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.467 0.307 . . . . 74.03 110.274 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m 62.67 53.73 2.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.304 1.042 . . . . 50.24 111.073 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.9 p -106.62 168.29 9.27 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 115.276 -0.875 . . . . 74.42 111.285 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.05 -58.14 6.42 Favored Glycine 0 C--N 1.354 1.572 0 N-CA-C 111.369 -0.692 . . . . 64.52 111.369 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -160.85 106.57 1.43 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.622 0.769 . . . . 62.2 109.451 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.608 HG22 ' HG3' ' A' ' 38' ' ' GLN . 27.6 m -70.92 132.85 32.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.798 0 N-CA-C 109.654 -0.498 . . . . 61.44 109.654 169.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 23' ' ' ASP . 44.9 p -102.82 172.43 6.84 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.042 0.937 . . . . 75.51 111.121 -177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.489 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 13.1 ptm180 -53.49 -39.73 64.78 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.862 0.865 . . . . 75.14 112.731 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 17.4 mm-40 -100.61 20.65 14.69 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.653 0.381 . . . . 70.13 111.607 -176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.2 m -80.45 128.95 34.17 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.543 -0.54 . . . . 63.25 109.543 169.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -94.17 128.4 40.57 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.141 -0.689 . . . . 73.44 109.141 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 87.4 t80 -49.1 -55.63 11.61 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.268 1.427 . . . . 74.55 113.039 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -72.8 -31.84 65.13 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.581 -0.736 . . . . 72.24 112.028 -170.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.86 -27.29 63.73 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.118 0.567 . . . . 74.21 110.397 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' HG2' HG12 ' A' ' 46' ' ' VAL . 8.7 tp-100 -87.99 24.24 1.86 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.021 0.928 . . . . 65.5 111.6 -175.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.97 18.89 55.22 Favored Glycine 0 C--N 1.343 0.964 0 CA-C-N 116.088 -0.506 . . . . 41.52 112.319 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.55 150.95 24.89 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 112.272 -0.331 . . . . 61.32 112.272 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 61' ' ' LEU . 13.8 t70 -136.3 168.75 18.83 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 107.957 -1.127 . . . . 52.0 107.957 176.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 p -64.23 -37.22 86.7 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.17 0.588 . . . . 62.22 110.724 173.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.09 -48.04 69.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.574 1.149 . . . . 73.34 109.472 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 58' ' ' ASP . 6.3 tt -61.29 -36.45 80.09 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.119 -0.946 . . . . 75.35 109.724 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.14 88.89 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.059 0.943 . . . . 72.13 111.493 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.9 m -59.93 -40.13 87.86 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.674 0.79 . . . . 61.44 110.787 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -71.68 -45.14 62.84 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 123.041 0.537 . . . . 75.34 111.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 2.3 tm? -64.48 -40.74 96.25 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.975 1.31 . . . . 72.34 111.571 -172.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.6 p -56.77 -33.16 66.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.309 0.644 . . . . 73.01 111.102 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 71' ' ' GLN . . . -53.83 -51.43 49.29 Favored Glycine 0 CA--C 1.533 1.167 0 O-C-N 124.303 1.002 . . . . 60.41 113.953 176.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -59.37 -37.03 76.88 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 117.326 0.563 . . . . 65.31 111.399 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.7 -34.82 74.44 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.956 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -59.74 -45.29 92.65 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.829 0.823 . . . . 74.05 110.021 174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 72.4 mm-40 -69.03 -29.04 67.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.057 -1.429 . . . . 73.24 110.538 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.41 -14.2 61.65 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.784 0.834 . . . . 32.53 111.898 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.93 26.83 23.26 Favored Glycine 0 C--N 1.347 1.164 0 C-N-CA 123.065 0.364 . . . . 61.24 112.469 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -123.22 129.84 51.93 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.199 1.0 . . . . 71.23 109.651 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 75' ' ' GLU . 4.9 pt-20 -75.69 113.77 13.52 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.464 0.649 . . . . 64.5 109.804 176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.13 126.37 49.58 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 114.442 -1.254 . . . . 75.3 108.794 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -124.38 162.02 24.73 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 123.467 0.707 . . . . 65.53 109.822 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.69 -44.1 93.78 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.43 -0.805 . . . . 45.24 108.925 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.3 m -56.57 -37.57 70.76 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.282 1.033 . . . . 63.51 112.514 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.18 -31.72 67.99 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.766 0.426 . . . . 73.44 111.798 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.6 mt -77.55 -35.07 53.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 122.8 0.44 . . . . 74.15 111.284 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -75.27 -30.95 60.61 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.588 0.355 . . . . 71.45 110.855 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -81.68 -32.96 31.5 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.407 0.683 . . . . 71.43 110.557 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -128.98 86.05 58.44 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.059 0.944 . . . . 72.2 108.506 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.37 -39.14 2.2 Favored 'Trans proline' 0 C--N 1.367 1.541 0 C-N-CA 122.338 2.025 . . . . 72.15 111.758 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -60.15 144.9 48.74 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 124.503 1.121 . . . . 74.33 111.252 178.089 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.27 -58.41 7.24 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.287 0.635 . . . . 71.12 110.597 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.74 74.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.383 0.673 . . . . 72.31 111.673 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -72.68 -34.44 67.18 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.776 0.83 . . . . 74.44 110.881 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -75.84 -36.99 59.44 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.637 0.775 . . . . 71.35 110.526 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.76 -28.49 69.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.581 0.752 . . . . 73.13 110.347 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.53 -33.98 71.77 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.269 -0.878 . . . . 44.44 112.065 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 t -88.43 -10.01 50.63 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.263 0.468 . . . . 63.43 112.263 -173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.8 mt -68.02 129.06 38.77 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 120.81 0.338 . . . . 72.11 111.755 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -105.33 144.26 32.36 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.138 0.975 . . . . 74.4 109.039 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.74 106.64 1.9 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.4 m -76.24 139.24 41.07 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.912 0.885 . . . . 64.33 110.704 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.63 109.14 4.16 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.328 -0.99 . . . . 74.25 108.328 167.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 101' ' ' VAL . 30.2 m -62.97 161.12 32.6 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.456 0.702 . . . . 65.52 110.264 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.28 -26.39 20.34 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.75 2.3 . . . . 64.13 114.641 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 99' ' ' VAL . 51.9 t 59.49 78.22 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.759 1.224 . . . . 63.41 110.084 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.91 -37.2 78.79 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 115.502 -0.772 . . . . 64.02 110.531 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.82 100.59 28.41 Favored Pre-proline 0 CA--C 1.543 0.677 0 C-N-CA 124.011 0.924 . . . . 71.11 108.624 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.5 93.03 0.11 Allowed 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 122.614 2.209 . . . . 74.21 111.499 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -60.33 -41.26 93.19 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.997 0.919 . . . . 74.34 110.558 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 p -155.34 85.06 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 124.56 1.144 . . . . 61.12 109.154 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -158.77 97.8 1.45 Allowed 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.265 -0.88 . . . . 75.43 109.349 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.7 m -90.59 116.42 66.36 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.57 0.748 . . . . 75.31 109.868 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -86.46 172.99 6.69 Favored 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.022 2.481 . . . . 74.14 112.574 173.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -86.52 128.1 34.94 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.105 0.562 . . . . 73.22 110.999 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 123.413 0.685 . . . . 74.13 110.469 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.687 -0.565 . . . . 55.13 111.687 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.4 p -79.07 119.56 22.38 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.753 0.821 . . . . 74.43 110.406 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -76.05 102.89 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.549 0.69 . . . . 74.22 109.46 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.02 135.43 43.1 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.073 -0.714 . . . . 74.04 109.073 175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -82.05 -10.56 59.18 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 116.293 -0.412 . . . . 71.43 110.121 169.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -54.28 -55.0 32.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.747 1.219 . . . . 73.44 113.323 -168.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.09 -32.27 71.58 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.583 0.552 . . . . 63.03 111.859 -175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.02 -2.4 50.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.585 0.587 . . . . 72.24 112.585 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.82 87.87 0.36 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.687 0.795 . . . . 71.24 110.805 -172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 51.61 47.41 24.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.877 1.271 . . . . 50.22 109.827 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 13' ' ' THR . 78.2 ttt180 -60.94 99.53 0.09 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 114.437 -1.256 . . . . 75.23 111.895 -167.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -86.58 81.46 8.26 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.693 -0.685 . . . . 71.1 110.76 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.435 HG22 ' HG2' ' A' ' 11' ' ' ARG . 5.1 t -156.42 86.01 3.04 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 123.811 0.844 . . . . 53.01 109.518 169.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.76 -168.99 0.65 Allowed 'Trans proline' 0 C--N 1.378 2.095 0 C-N-CA 122.566 2.177 . . . . 63.22 111.457 172.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.05 126.94 29.01 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.731 0.412 . . . . 65.32 111.769 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.76 -62.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 107.355 -1.35 . . . . 52.31 107.355 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -128.48 152.92 47.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.93 -1.032 . . . . 75.54 108.89 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 m120 54.95 59.28 10.77 Favored Pre-proline 0 CA--C 1.559 1.313 0 C-N-CA 124.626 1.171 . . . . 75.23 112.207 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -82.07 101.52 1.14 Allowed 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.747 2.298 . . . . 60.43 110.47 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.37 -49.1 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.604 1.162 . . . . 32.24 109.287 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.45 150.19 39.98 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 107.659 -1.238 . . . . 71.04 107.659 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 77.86 8.06 2.55 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.643 1.577 . . . . 71.35 111.324 -169.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 18.8 m-20 -105.37 19.33 20.76 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.206 1.003 . . . . 72.01 110.658 -174.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.78 138.17 33.2 Favored Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 123.949 0.9 . . . . 70.13 111.756 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 71.6 Cg_exo -44.8 121.6 3.55 Favored 'Trans proline' 0 C--N 1.383 2.345 0 C-N-CA 124.509 3.473 . . . . 73.12 113.804 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.691 HE22 ' HD3' ' A' ' 48' ' ' ARG . 4.0 mp0 -103.72 77.27 1.46 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.128 0.571 . . . . 74.32 110.744 -170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.65 -155.77 21.56 Favored Glycine 0 C--N 1.347 1.166 0 N-CA-C 114.771 0.668 . . . . 51.41 114.771 170.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.77 -54.39 6.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.074 1.35 . . . . 52.42 111.585 -166.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.3 mm -69.4 -35.13 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-O 121.61 0.719 . . . . 73.14 109.52 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 14.5 mp0 -64.6 -41.66 96.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.835 -1.53 . . . . 75.3 111.143 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -71.45 -30.27 65.83 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 111.612 0.227 . . . . 73.43 111.612 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 54.2 tp60 -65.92 -55.53 16.45 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 123.396 0.678 . . . . 73.41 109.726 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.31 -36.43 58.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 124.109 0.88 . . . . 63.4 110.325 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.98 79.82 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.575 0.75 . . . . 71.3 112.268 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.23 -32.26 73.78 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.054 0.542 . . . . 65.11 110.714 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 89.4 mt -71.74 -39.96 69.71 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.7 -0.682 . . . . 71.02 111.385 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.563 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.2 m0 -70.27 -42.11 72.54 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.752 0.421 . . . . 72.34 111.092 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.643 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.1 mt-30 -66.55 -19.59 65.82 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.146 0.578 . . . . 60.33 111.787 176.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.71 -62.17 1.57 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.161 0.584 . . . . 74.12 110.799 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.48 -43.55 98.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.672 1.189 . . . . 74.24 112.118 -173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.65 -24.0 29.23 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.18 0.192 . . . . 74.03 110.53 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.9 m 62.88 50.59 3.2 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.202 1.001 . . . . 50.24 110.315 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -97.95 160.22 14.44 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.793 0.837 . . . . 74.42 110.279 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.93 -49.99 67.56 Favored Glycine 0 C--N 1.347 1.165 0 O-C-N 123.77 0.669 . . . . 64.52 112.673 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -150.53 158.92 44.71 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.751 0.82 . . . . 62.2 109.784 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.643 HG22 ' HG3' ' A' ' 38' ' ' GLN . 22.0 m -136.25 129.55 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 123.406 0.682 . . . . 61.44 109.306 170.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 68.6 p -113.63 -177.64 3.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.506 1.123 . . . . 75.51 109.561 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 46.0 ttp85 -48.75 -46.84 41.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.869 0.868 . . . . 75.14 111.502 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 22.7 mm-40 -96.55 19.69 11.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.831 0.853 . . . . 70.13 112.893 -172.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.55 HG21 HG12 ' A' ' 46' ' ' VAL . 28.2 m -77.77 125.67 29.69 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.866 -0.79 . . . . 63.25 108.866 165.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.558 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.1 m-20 -94.85 116.41 28.68 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.524 -0.917 . . . . 73.44 108.524 173.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -47.54 -50.22 24.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.674 1.19 . . . . 74.55 112.12 -177.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -75.68 -37.79 59.25 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.165 -0.925 . . . . 72.24 111.544 -172.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.6 tt0 -61.99 -35.54 78.8 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.656 0.782 . . . . 74.21 111.414 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' A' ' 50' ' ' THR . 78.0 mm-40 -76.93 -4.97 46.63 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.065 0.546 . . . . 65.5 112.316 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.09 4.08 11.52 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.807 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -75.14 157.02 49.6 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.754 0.277 . . . . 61.32 112.463 176.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -125.64 166.66 16.32 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 108.403 -0.962 . . . . 52.0 108.403 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.8 p -58.31 -42.6 87.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.692 0.797 . . . . 62.22 111.63 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.79 -39.88 84.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.909 0.484 . . . . 73.34 110.147 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD13 ' HA2' ' A' ' 57' ' ' GLY . 1.3 tt -62.76 -36.53 83.38 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 123.929 0.892 . . . . 75.35 109.574 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.43 -32.9 68.9 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.778 0.831 . . . . 72.13 111.307 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -65.28 -34.61 78.75 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 122.997 0.519 . . . . 61.44 110.074 176.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -66.54 -45.53 79.09 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.462 0.705 . . . . 75.34 110.63 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -54.32 -47.5 72.41 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.298 1.439 . . . . 72.34 110.861 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.8 p -63.87 -28.22 69.7 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 114.668 -1.151 . . . . 73.01 112.682 -174.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.17 -39.01 97.1 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 115.679 -0.691 . . . . 60.41 114.18 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.59 -38.25 89.39 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.007 0.523 . . . . 65.31 110.363 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.9 mt -67.44 -37.94 83.76 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 115.367 -0.833 . . . . 74.44 111.205 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -55.35 -40.27 71.06 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 124.037 0.835 . . . . 74.05 111.149 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -75.06 -25.24 58.5 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.062 -0.972 . . . . 73.24 111.139 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.27 0.28 52.43 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.592 0.757 . . . . 32.53 111.482 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.09 30.45 31.26 Favored Glycine 0 C--N 1.353 1.507 0 CA-C-N 116.544 -0.298 . . . . 61.24 113.235 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -122.69 127.88 49.85 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.175 0.99 . . . . 71.23 108.971 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.2 126.75 31.26 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.227 -0.657 . . . . 64.5 109.227 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.08 127.26 10.53 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.552 1.141 . . . . 75.3 108.041 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -124.69 164.32 20.17 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.057 0.943 . . . . 65.53 108.524 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.95 -36.05 62.42 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.417 -0.81 . . . . 45.24 110.743 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -61.48 -33.9 74.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.159 0.584 . . . . 63.51 111.905 176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -65.72 -57.17 8.66 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.058 0.543 . . . . 73.44 110.247 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.7 mt -63.07 -34.45 77.62 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.155 0.582 . . . . 74.15 112.359 -176.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -81.94 -12.42 58.4 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.965 0.506 . . . . 71.45 110.794 -177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -100.28 -20.93 15.66 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.897 0.879 . . . . 71.43 110.29 171.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.8 81.52 67.08 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.015 0.926 . . . . 72.2 109.201 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 97.1 Cg_endo -77.46 -20.4 12.4 Favored 'Trans proline' 0 C--N 1.371 1.73 0 C-N-CA 122.223 1.949 . . . . 72.15 112.812 -177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.536 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -79.09 146.75 33.06 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.789 0.836 . . . . 74.33 110.71 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.53 -65.08 0.74 Allowed 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.247 0.967 . . . . 71.12 111.28 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -74.48 -19.15 60.48 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.769 0.668 . . . . 72.31 110.913 -171.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.25 -40.27 71.12 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.245 1.018 . . . . 74.44 110.47 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 93' ' ' THR . 41.3 t80 -73.84 -35.65 64.84 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.598 -1.183 . . . . 71.35 110.304 174.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.98 -33.88 75.48 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.96 0.409 . . . . 73.13 110.615 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.26 -17.68 60.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.617 0.767 . . . . 44.44 112.786 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 90' ' ' PHE . 11.9 t -96.98 -3.83 40.9 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.842 0.292 . . . . 63.43 111.26 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 85.0 mt -75.11 120.04 20.08 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.32 0.248 . . . . 72.11 110.571 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -102.4 156.81 17.35 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.709 -0.848 . . . . 74.4 108.709 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.31 125.61 29.6 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 122.913 0.485 . . . . 73.11 110.931 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 m -86.28 141.91 28.92 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 124.453 1.101 . . . . 64.33 109.671 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -73.53 112.21 9.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.983 -0.747 . . . . 74.25 108.983 169.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.2 m -63.78 140.27 97.79 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.435 0.694 . . . . 65.52 110.492 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.55 -32.55 83.32 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 123.262 2.641 . . . . 64.13 113.741 -176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.03 132.88 32.68 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 CA-C-N 116.054 -0.521 . . . . 63.41 110.048 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -158.39 166.88 31.17 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.437 0.695 . . . . 64.02 110.615 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -90.41 149.11 40.41 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 108.195 -1.039 . . . . 71.11 108.195 165.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -62.54 80.73 0.1 Allowed 'Trans proline' 0 C--N 1.374 1.917 0 C-N-CA 122.432 2.088 . . . . 74.21 112.654 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -116.31 153.25 32.3 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.957 0.903 . . . . 74.34 109.024 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 p -72.87 107.41 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 CA-C-O 121.678 0.752 . . . . 61.12 110.748 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -131.11 123.94 29.68 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.091 -1.077 . . . . 75.43 108.091 176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.7 p -81.82 112.6 36.13 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 123.264 0.626 . . . . 75.31 110.635 -177.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.81 52.51 3.78 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.957 2.438 . . . . 74.14 110.938 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.15 71.02 10.94 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.152 -0.931 . . . . 73.22 110.201 -171.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 CA--C 1.549 0.928 0 C-N-CA 124.458 1.103 . . . . 74.13 109.199 -179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.079 0 CA-C-O 119.983 -0.343 . . . . 55.13 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -93.86 62.97 3.23 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 121.771 0.796 . . . . 74.43 110.877 -176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.77 135.79 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.795 -0.817 . . . . 74.22 108.795 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -75.81 82.83 2.75 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 109.219 -0.66 . . . . 74.04 109.219 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.89 -22.63 66.53 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.964 -1.016 . . . . 71.43 110.108 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -56.55 -17.64 9.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.07 1.348 . . . . 73.44 113.022 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.29 -33.66 76.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.642 0.777 . . . . 63.03 111.471 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -111.65 86.71 2.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.985 0.914 . . . . 72.24 109.146 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -72.9 -45.39 58.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.012 0.925 . . . . 71.24 111.682 -174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? 71.55 146.31 0.07 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.399 1.48 . . . . 50.22 111.8 -172.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -83.99 -20.85 32.11 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.55 0.74 . . . . 75.23 110.656 174.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.18 124.77 33.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.142 0.977 . . . . 71.1 108.568 170.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 10.2 t -69.45 122.52 85.88 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 123.846 0.858 . . . . 53.01 111.828 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 4.3 Cg_exo -75.6 73.79 4.53 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.834 2.356 . . . . 63.22 112.647 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 56.58 -79.4 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.298 1.439 . . . . 65.32 112.871 173.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.53 -49.95 9.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.586 0.755 . . . . 52.31 110.615 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 60.85 -91.06 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.981 1.313 . . . . 75.54 111.655 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -103.13 154.19 37.8 Favored Pre-proline 0 N--CA 1.491 1.588 0 C-N-CA 123.542 0.737 . . . . 75.23 110.243 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -63.05 136.22 55.36 Favored 'Trans proline' 0 C--N 1.366 1.47 0 C-N-CA 122.421 2.081 . . . . 60.43 110.354 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 70.22 21.7 5.79 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.709 1.204 . . . . 32.24 111.868 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.32 -56.9 2.13 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 108.9 -0.778 . . . . 71.04 108.9 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.13 25.95 9.93 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.993 0.917 . . . . 71.35 110.53 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 6.2 m-20 -109.55 23.91 13.79 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.8 . . . . 72.01 110.483 -172.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 10.6 mp -56.76 141.15 74.61 Favored Pre-proline 0 N--CA 1.481 1.11 0 C-N-CA 122.994 0.517 . . . . 70.13 111.798 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.641 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 37.2 Cg_exo -61.32 121.69 9.99 Favored 'Trans proline' 0 C--N 1.374 1.898 0 C-N-CA 122.936 2.424 . . . . 73.12 110.934 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -120.8 54.56 1.07 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 122.534 1.159 . . . . 74.32 109.502 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.79 30.87 Favored Glycine 0 CA--C 1.509 -0.311 0 CA-C-N 113.762 -1.563 . . . . 51.41 110.491 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.557 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 24.0 t70 -58.89 -51.84 68.29 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.969 0.908 . . . . 52.42 111.589 -175.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.6 mm -72.44 -41.91 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.422 -0.808 . . . . 73.14 110.529 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 3.8 mp0 -65.26 -36.89 85.51 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.848 0.459 . . . . 75.3 111.712 -173.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 64.9 pttt -71.51 -29.82 65.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.342 0.257 . . . . 73.43 110.718 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -71.2 -48.46 51.35 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.911 0.884 . . . . 73.41 110.027 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.12 -40.63 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.265 -0.879 . . . . 63.4 109.441 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.92 -47.21 86.72 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.297 0.639 . . . . 71.3 111.474 176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.43 92.93 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.557 0.743 . . . . 65.11 111.387 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.01 -34.81 64.28 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.58 -0.736 . . . . 71.02 110.975 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -66.31 -37.19 84.82 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 120.937 0.398 . . . . 72.34 110.486 174.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.626 HE21 ' HA ' ' A' ' 45' ' ' ASN . 83.7 mt-30 -72.72 -21.86 60.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.844 0.858 . . . . 60.33 111.628 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -82.99 -58.96 2.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.212 0.605 . . . . 74.12 110.264 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.63 -44.45 77.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.038 0.935 . . . . 74.24 112.514 -172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 43' ' ' THR . 74.7 mt -78.85 -23.23 45.1 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 110.245 -0.28 . . . . 74.03 110.245 176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 m 62.59 62.32 1.12 Allowed 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.504 1.122 . . . . 50.24 109.784 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 41' ' ' LEU . 72.8 p -108.6 157.74 18.22 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.722 -1.127 . . . . 74.42 110.298 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.38 -44.04 52.67 Favored Glycine 0 C--N 1.344 0.989 0 O-C-N 123.771 0.67 . . . . 64.52 111.697 174.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.626 ' HA ' HE21 ' A' ' 38' ' ' GLN . 39.9 t-20 -161.65 133.56 5.64 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.532 0.733 . . . . 62.2 110.122 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.2 m -123.0 135.58 62.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 107.601 -1.259 . . . . 61.44 107.601 169.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.552 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 70.1 p -108.62 178.46 4.48 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.569 0.748 . . . . 75.51 111.572 -172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 23' ' ' ASP . 5.8 ptm85 -48.75 -40.74 29.8 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 114.667 1.358 . . . . 75.14 114.667 -172.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -122.95 29.92 6.6 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.004 0.431 . . . . 70.13 110.344 -175.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -76.46 139.53 40.88 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.556 -0.905 . . . . 63.25 108.556 165.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.9 m-20 -95.13 136.38 35.53 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.728 -0.669 . . . . 73.44 109.656 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -58.64 -47.2 85.22 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.22 0.95 . . . . 74.55 110.001 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -70.87 -45.6 64.12 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 114.362 -1.29 . . . . 72.24 111.984 -174.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.6 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 50.9 tt0 -65.14 -34.34 78.15 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.199 0.599 . . . . 74.21 111.125 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.48 -13.75 62.53 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 123.371 0.668 . . . . 65.5 111.531 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.08 -2.57 10.7 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 116.463 -0.335 . . . . 41.52 113.81 175.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.35 172.05 53.55 Favored Glycine 0 C--N 1.343 0.951 0 CA-C-N 116.869 0.335 . . . . 61.32 112.277 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -142.11 -176.16 4.7 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 108.631 -0.878 . . . . 52.0 108.631 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 66.1 p -67.79 -32.31 72.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.017 0.527 . . . . 62.22 112.189 -177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.02 -44.38 72.88 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.764 -0.458 . . . . 73.34 109.764 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -67.23 -33.56 75.62 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.19 -0.67 . . . . 75.35 109.19 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.66 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.77 -30.14 66.55 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.942 0.897 . . . . 72.13 111.642 178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 83.5 m -64.24 -35.17 79.95 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.724 . . . . 61.44 110.126 174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -74.55 -46.45 38.91 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.656 -0.702 . . . . 75.34 110.063 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 81' ' ' LEU . 3.2 tm? -56.31 -47.44 78.69 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.935 1.294 . . . . 72.34 111.313 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -57.32 -32.61 66.86 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.88 0.872 . . . . 73.01 111.334 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.89 99.19 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.222 -0.899 . . . . 60.41 113.646 175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.02 -36.99 84.75 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 65.31 110.662 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.15 -39.31 94.3 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 122.959 0.504 . . . . 74.44 110.627 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -61.04 -38.26 85.52 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 123.137 0.575 . . . . 74.05 111.711 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -76.45 -12.86 60.11 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.05 -0.977 . . . . 73.24 111.335 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.2 -4.08 46.58 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.857 0.863 . . . . 32.53 111.22 170.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.35 27.19 23.54 Favored Glycine 0 C--N 1.355 1.595 0 C-N-CA 123.379 0.514 . . . . 61.24 113.083 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -122.6 127.65 49.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.079 0.951 . . . . 71.23 109.681 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' ARG . 1.2 tm-20 -86.94 120.06 27.81 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 106.686 -1.598 . . . . 64.5 106.686 -176.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -131.06 112.05 12.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.795 -1.093 . . . . 75.3 108.637 -168.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -90.82 141.86 28.37 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 122.77 0.428 . . . . 65.53 109.988 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.16 -40.32 95.61 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.963 0.505 . . . . 45.24 109.73 173.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.8 m -58.89 -37.48 76.68 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.33 -0.85 . . . . 63.51 111.417 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.08 -30.07 62.18 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 118.88 -0.581 . . . . 73.44 111.858 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.66 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -70.45 -35.44 73.35 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.117 0.871 . . . . 74.15 110.859 175.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -74.91 -33.17 61.97 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 109.931 -0.396 . . . . 71.45 109.931 177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -79.75 -29.27 40.46 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.747 0.819 . . . . 71.43 111.042 178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' NE2' HG21 ' A' ' 93' ' ' THR . 73.8 m-70 -128.2 79.37 74.08 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 107.679 -1.23 . . . . 72.2 107.679 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 12.3 Cg_exo -71.02 -27.79 20.04 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.435 2.09 . . . . 72.15 111.36 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -66.48 150.2 49.3 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 123.645 0.591 . . . . 74.33 110.508 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.8 tt -65.68 -54.15 31.35 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.713 -1.13 . . . . 71.12 111.386 -174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.68 63.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.746 0.818 . . . . 72.31 111.713 -173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -42.48 76.64 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.66 0.784 . . . . 74.44 110.49 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.46 ' HZ ' ' HB1' ' A' ' 76' ' ' ALA . 43.4 t80 -74.72 -34.41 62.57 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.513 -0.767 . . . . 71.35 110.815 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.08 -34.04 72.91 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.509 0.724 . . . . 73.13 110.808 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -36.04 71.91 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.844 0.858 . . . . 44.44 111.683 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' NE2' ' A' ' 84' ' ' HIS . 30.5 p -85.06 6.52 25.03 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.388 0.675 . . . . 63.43 112.784 -176.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -74.24 151.63 39.87 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 120.937 0.398 . . . . 72.11 110.228 171.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 75' ' ' GLU . 48.8 mtt85 -128.98 130.52 46.79 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.658 0.783 . . . . 74.4 109.275 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.19 106.62 0.54 Allowed 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 118.664 0.665 . . . . 73.11 110.232 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.9 m -77.24 133.36 38.89 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.265 -1.334 . . . . 64.33 110.437 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -78.61 131.3 36.66 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.252 0.621 . . . . 74.25 110.161 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 36.0 m -71.39 154.61 93.47 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 115.633 -0.712 . . . . 65.52 110.493 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.88 -13.71 39.26 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.063 1.842 . . . . 64.13 113.105 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 76.0 t 66.6 100.27 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.931 1.292 . . . . 63.41 110.933 177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.5 101.1 4.05 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.031 0.532 . . . . 64.02 109.857 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -75.42 142.81 75.16 Favored Pre-proline 0 CA--C 1.546 0.824 0 CA-C-N 115.446 -0.797 . . . . 71.11 109.514 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -58.94 109.84 0.58 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.85 2.367 . . . . 74.21 111.021 -178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -59.77 123.47 17.07 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.174 0.59 . . . . 74.34 111.461 -173.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.4 m -74.56 -9.29 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.696 0.798 . . . . 61.12 111.574 -174.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -82.34 170.25 15.55 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.338 0.655 . . . . 75.43 110.253 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -141.35 115.12 6.91 Favored Pre-proline 0 CA--C 1.542 0.646 0 C-N-CA 123.259 0.624 . . . . 75.31 109.884 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.7 131.61 7.31 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.442 2.095 . . . . 74.14 111.492 169.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.25 -164.38 1.14 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.826 0.85 . . . . 73.22 109.843 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.89 1.276 . . . . 74.13 109.394 -174.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.668 -0.573 . . . . 55.13 111.668 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 m -125.28 152.61 44.42 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.912 0.885 . . . . 74.43 108.725 176.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.3 tt -58.35 122.11 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.765 0.426 . . . . 74.22 110.573 174.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -79.59 126.95 31.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.909 -0.587 . . . . 74.04 109.744 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -86.92 -37.66 17.42 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.954 0.902 . . . . 71.43 111.669 -171.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -17.01 61.12 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.369 0.668 . . . . 73.44 112.188 -174.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.42 -28.43 69.68 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.541 0.736 . . . . 63.03 111.521 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.7 88.11 1.72 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.222 -1.029 . . . . 72.24 108.222 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -155.5 138.39 15.35 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.403 -0.817 . . . . 71.24 109.829 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.56 163.27 20.51 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.122 0.487 . . . . 50.22 110.237 177.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG2' ' H ' ' A' ' 12' ' ' HIS . 49.4 ttt180 -148.71 -164.56 2.05 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 107.505 -1.295 . . . . 75.23 107.505 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 51.7 m80 71.65 173.22 0.31 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.367 1.067 . . . . 71.1 111.137 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 t -131.67 116.16 15.99 Favored Pre-proline 0 CA--C 1.55 0.974 0 N-CA-C 108.851 -0.796 . . . . 53.01 108.851 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -86.01 9.84 3.9 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 122.927 2.418 . . . . 63.22 112.42 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.78 79.26 0.86 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.432 0.693 . . . . 65.32 109.338 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB1' HE21 ' A' ' 54' ' ' GLN . . . -94.8 82.39 3.88 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.364 0.665 . . . . 52.31 109.78 -175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -67.24 142.82 56.79 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.057 -0.52 . . . . 75.54 110.716 172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 70.1 m-20 -72.84 110.96 9.53 Favored Pre-proline 0 CA--C 1.541 0.612 0 O-C-N 124.22 0.95 . . . . 75.23 108.626 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 18' ' ' ASN . 7.7 Cg_endo -86.17 64.27 5.16 Favored 'Trans proline' 0 C--N 1.372 1.774 0 C-N-CA 123.176 2.584 . . . . 60.43 111.249 -173.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.4 -19.14 36.56 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.744 -1.117 . . . . 32.24 112.39 -173.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.76 -156.63 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.763 0.825 . . . . 71.04 111.332 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.64 55.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.735 0.814 . . . . 71.35 111.263 175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -97.35 10.79 38.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.177 0.991 . . . . 72.01 110.736 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 mp -58.07 143.29 78.62 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 123.607 0.763 . . . . 70.13 110.38 -178.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -59.51 122.17 11.07 Favored 'Trans proline' 0 C--N 1.364 1.392 0 C-N-CA 122.801 2.334 . . . . 73.12 112.23 -171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -113.8 111.6 22.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.538 0.735 . . . . 74.32 109.042 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.59 154.7 8.55 Favored Glycine 0 C--N 1.342 0.875 0 N-CA-C 110.647 -0.981 . . . . 51.41 110.647 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -62.63 -45.82 91.11 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.193 0.597 . . . . 52.42 110.948 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mm -68.98 -42.52 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 115.389 -0.823 . . . . 73.14 110.244 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -60.62 -48.18 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.893 0.877 . . . . 75.3 110.504 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -65.07 -37.79 88.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.645 0.778 . . . . 73.43 111.627 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -70.02 -45.48 67.12 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.602 0.761 . . . . 73.41 111.687 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.19 -41.24 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.293 0.637 . . . . 63.4 109.828 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.89 -38.9 92.81 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.423 0.689 . . . . 71.3 111.637 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -62.32 -49.31 76.12 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 123.755 0.659 . . . . 65.11 109.843 176.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 98.2 mt -62.18 -35.76 79.82 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.989 0.805 . . . . 71.02 111.744 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' HE1' HD11 ' A' ' 65' ' ' LEU . 31.1 m0 -68.23 -40.43 82.04 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 120.62 0.247 . . . . 72.34 110.372 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 46' ' ' VAL . 38.9 mt-30 -72.57 -20.23 61.35 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.185 0.594 . . . . 60.33 112.315 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 55.7 mt-30 -86.07 -49.35 7.86 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.669 0.787 . . . . 74.12 110.657 177.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -70.46 -57.27 4.98 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.767 0.827 . . . . 74.24 110.865 -178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.69 -23.05 62.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.774 0.429 . . . . 74.03 110.924 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 m 63.44 54.47 1.95 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.164 0.985 . . . . 50.24 110.596 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 HG21 ' HG2' ' A' ' 55' ' ' GLN . 81.0 p -105.29 178.92 4.42 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.915 -1.039 . . . . 74.42 111.847 -171.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.68 -70.12 1.31 Allowed Glycine 0 C--N 1.349 1.285 0 CA-C-N 115.754 -0.657 . . . . 64.52 111.967 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.22 127.71 13.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.113 0.965 . . . . 62.2 109.38 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 38' ' ' GLN . 29.3 m -108.8 145.04 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 N-CA-C 108.989 -0.745 . . . . 61.44 108.989 171.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.6 p -128.46 -178.45 4.58 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.652 0.781 . . . . 75.51 111.132 -170.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -60.19 -33.62 72.48 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 113.382 0.882 . . . . 75.14 113.382 -169.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.1 mt-10 -104.34 10.68 35.35 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 112.303 0.483 . . . . 70.13 112.303 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 m -77.29 131.07 37.96 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.122 -1.066 . . . . 63.25 108.122 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.21 149.66 21.03 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 108.165 -1.05 . . . . 73.44 108.165 174.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HZ ' HD22 ' A' ' 61' ' ' LEU . 80.2 t80 -60.02 -41.95 93.28 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.484 0.659 . . . . 74.55 109.594 176.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -81.44 -21.34 38.9 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 114.484 -1.234 . . . . 72.24 111.29 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.587 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 31.0 tt0 -62.57 -41.0 98.64 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 123.992 0.917 . . . . 74.21 110.177 174.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 43' ' ' THR . 49.0 tp60 -84.85 4.68 32.07 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 114.614 -1.175 . . . . 65.5 110.899 -176.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.58 5.94 62.84 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 119.948 -0.362 . . . . 41.52 113.453 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.02 131.46 28.06 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 111.939 -0.465 . . . . 61.32 111.939 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 163.64 12.16 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.25 0.62 . . . . 52.0 110.582 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 71.0 p -54.22 -31.8 54.12 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 124.914 1.286 . . . . 62.22 113.287 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -52.62 55.27 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.241 1.016 . . . . 73.34 109.145 178.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.15 -32.25 73.59 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 114.172 -1.376 . . . . 75.35 109.712 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.611 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -72.17 -29.19 63.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.346 1.058 . . . . 72.13 112.077 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -65.02 -37.24 86.98 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.444 0.698 . . . . 61.44 110.022 172.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 98.3 mtt180 -77.43 -32.87 54.87 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.58 -0.736 . . . . 75.34 110.966 177.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.3 tm? -67.84 -45.18 75.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.948 0.899 . . . . 72.34 109.657 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 81' ' ' LEU . 17.2 p -60.19 -40.3 89.56 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.879 -0.6 . . . . 73.01 110.16 173.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.04 -33.1 77.8 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.839 0.712 . . . . 60.41 113.961 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG3' HD21 ' A' ' 40' ' ' LEU . 84.5 mm-40 -64.18 -35.15 79.85 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.45 0.7 . . . . 65.31 110.471 174.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.83 -35.6 57.43 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.293 -0.867 . . . . 74.44 110.919 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -59.57 -48.27 82.33 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 122.973 0.509 . . . . 74.05 111.01 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -73.12 -18.52 61.28 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.478 -0.783 . . . . 73.24 111.002 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.76 -23.87 45.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.002 0.521 . . . . 32.53 111.144 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.83 26.38 5.84 Favored Glycine 0 N--CA 1.479 1.51 0 C-N-CA 123.105 0.384 . . . . 61.24 113.0 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -123.32 126.15 46.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.53 1.132 . . . . 71.23 109.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 117.27 16.39 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 107.317 -1.364 . . . . 64.5 107.317 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.65 126.5 29.25 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.244 1.018 . . . . 75.3 109.447 -173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -121.58 146.28 47.12 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.29 0.636 . . . . 65.53 110.277 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.93 -30.75 66.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.117 0.967 . . . . 45.24 110.644 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -48.82 -42.67 36.91 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 124.444 1.09 . . . . 63.51 111.017 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.609 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 16.5 m-20 -90.89 -14.41 31.77 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.318 0.859 . . . . 73.44 113.318 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' ' 62' ' ' ALA . 1.2 mt -71.12 -39.49 72.0 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.305 0.957 . . . . 74.15 111.585 176.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -84.36 -27.44 27.69 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.054 0.388 . . . . 71.45 110.677 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 48.9 t30 -71.31 -31.31 67.28 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.182 0.593 . . . . 71.43 110.714 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -135.06 82.11 43.34 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 107.008 -1.478 . . . . 72.2 107.008 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -77.32 -34.68 1.96 Allowed 'Trans proline' 0 C--N 1.369 1.62 0 C-N-CA 122.461 2.107 . . . . 72.15 111.851 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.603 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -54.52 135.71 45.6 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.491 1.116 . . . . 74.33 110.45 174.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.55 -56.51 21.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.621 0.768 . . . . 71.12 112.066 -173.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.11 89.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.863 0.727 . . . . 72.31 111.076 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -69.71 -33.85 73.08 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.771 0.828 . . . . 74.44 111.502 -176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 81' ' ' LEU . 41.1 t80 -76.16 -42.16 47.52 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.277 0.631 . . . . 71.35 110.151 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.47 -27.39 69.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.629 0.772 . . . . 73.13 111.192 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.9 72.24 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.663 0.785 . . . . 44.44 111.191 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 p -89.08 5.92 42.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.477 0.711 . . . . 63.43 112.446 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.1 123.18 25.39 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 109.854 -0.424 . . . . 72.11 109.854 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -96.75 134.1 40.47 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 108.508 -0.923 . . . . 74.4 108.508 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -64.96 118.36 8.96 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.829 -0.804 . . . . 73.11 108.829 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.8 m -61.49 140.88 58.01 Favored 'General case' 0 C--O 1.242 0.685 0 O-C-N 123.471 0.482 . . . . 64.33 110.287 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.94 135.83 57.72 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 123.63 0.581 . . . . 74.25 109.56 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.485 ' HB ' HG22 ' A' ' 101' ' ' VAL . 15.5 m -61.99 118.51 39.81 Favored Pre-proline 0 CA--C 1.557 1.213 0 O-C-N 123.565 0.54 . . . . 65.52 110.388 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.6 -11.33 29.56 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.529 2.153 . . . . 64.13 112.705 -175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 99' ' ' VAL . 34.7 m -73.02 166.93 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.995 0.918 . . . . 63.41 111.266 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.54 116.76 11.25 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 109.379 -0.6 . . . . 64.02 109.379 175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.471 HE21 HG23 ' A' ' 99' ' ' VAL . 24.4 mp0 -72.34 159.12 86.23 Favored Pre-proline 0 CA--C 1.561 1.373 0 C-N-CA 123.674 0.79 . . . . 71.11 110.385 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.29 133.22 55.87 Favored 'Trans proline' 0 C--N 1.377 2.073 0 C-N-CA 122.627 2.218 . . . . 74.21 111.654 173.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -62.65 -42.31 99.54 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.531 0.732 . . . . 74.34 111.412 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.41 84.36 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.16 -0.927 . . . . 61.12 110.22 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 29.2 p-80 -93.87 128.1 39.97 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.4 -0.963 . . . . 75.43 108.4 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.9 p -123.44 99.76 39.33 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 124.294 1.038 . . . . 75.31 108.474 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.48 90.09 0.08 OUTLIER 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 122.888 2.392 . . . . 74.14 111.628 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.93 90.31 0.62 Allowed 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 115.152 -0.931 . . . . 73.22 109.024 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.552 1.047 0 CA-C-N 115.609 -0.723 . . . . 74.13 110.08 -172.527 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 111.725 -0.55 . . . . 55.13 111.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.9 p -145.67 117.65 8.27 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.156 0.982 . . . . 74.43 109.12 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.8 mp -104.37 26.48 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 123.779 0.832 . . . . 74.22 109.031 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.7 109.72 4.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.474 0.71 . . . . 74.04 109.216 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -67.89 -25.14 65.36 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.294 0.638 . . . . 71.43 111.691 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -74.78 -49.73 19.79 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.105 0.962 . . . . 73.44 111.35 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.63 -56.01 4.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.102 0.561 . . . . 63.03 110.099 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.73 107.76 17.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.347 -0.842 . . . . 72.24 108.751 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -148.58 15.75 0.99 Allowed 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.312 0.645 . . . . 71.24 109.803 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 59.92 40.69 18.76 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.841 1.257 . . . . 50.22 111.707 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -75.32 134.0 41.13 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.978 -0.556 . . . . 75.23 111.546 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -137.25 152.0 49.35 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.597 1.159 . . . . 71.1 107.887 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.6 m -112.52 97.14 39.28 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 123.551 0.74 . . . . 53.01 110.543 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -81.46 173.81 11.16 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.775 2.316 . . . . 63.22 111.703 164.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -72.75 81.97 1.15 Allowed 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.459 0.647 . . . . 65.32 109.399 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.61 -38.85 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.746 1.219 . . . . 52.31 108.679 -172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -93.38 -169.95 2.26 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.187 -0.915 . . . . 75.54 111.096 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 2.2 m-20 -57.28 120.79 42.51 Favored Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.469 1.107 . . . . 75.23 111.266 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' ASN . 33.3 Cg_exo -59.54 83.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.729 2.953 . . . . 60.43 114.206 -173.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.84 -76.11 0.58 Allowed 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.881 0.872 . . . . 32.24 110.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -77.51 -39.6 45.64 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.244 0.617 . . . . 71.04 109.698 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.41 70.56 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.405 -1.27 . . . . 71.35 113.279 -172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 47' ' ' THR . 15.9 t70 -96.26 19.56 11.72 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.057 -0.519 . . . . 72.01 110.525 -173.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD12 ' HD2' ' A' ' 25' ' ' PRO . 50.3 tp -56.34 127.58 71.61 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 123.645 0.778 . . . . 70.13 110.309 177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 29.4 Cg_endo -60.98 123.91 13.87 Favored 'Trans proline' 0 C--N 1.376 2.025 0 C-N-CA 122.847 2.365 . . . . 73.12 111.858 178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 88.3 mt-30 -114.33 117.13 30.22 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.758 0.823 . . . . 74.32 109.404 -172.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.87 161.3 9.39 Favored Glycine 0 C--N 1.342 0.888 0 N-CA-C 111.316 -0.714 . . . . 51.41 111.316 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -61.65 -45.36 94.35 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.659 0.784 . . . . 52.42 111.328 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.9 mm -73.18 -42.9 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 115.397 -0.819 . . . . 73.14 109.622 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 17.2 mp0 -61.1 -37.37 82.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.615 0.766 . . . . 75.3 111.496 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -67.25 -44.24 79.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.974 0.509 . . . . 73.43 111.108 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.473 HE21 HD11 ' A' ' 36' ' ' LEU . 54.8 tp60 -60.86 -47.53 85.97 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.36 0.664 . . . . 73.41 110.872 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.74 -37.97 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.495 -0.775 . . . . 63.4 110.254 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -60.66 -49.46 77.41 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.176 0.59 . . . . 71.3 111.699 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -62.42 -43.91 97.68 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.134 0.896 . . . . 65.11 110.88 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 HE21 ' A' ' 32' ' ' GLN . 77.8 mt -65.14 -38.17 89.77 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.628 0.58 . . . . 71.02 111.459 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.8 m0 -67.99 -35.27 78.05 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 120.492 0.187 . . . . 72.34 110.822 175.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.7 mt-30 -72.67 -25.33 61.23 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 122.014 -0.429 . . . . 60.33 112.069 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 11.7 mm100 -85.6 -60.55 1.99 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.76 0.424 . . . . 74.12 109.959 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -63.15 -39.72 95.49 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.172 0.989 . . . . 74.24 112.874 -173.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.9 -15.96 46.1 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 117.969 0.35 . . . . 74.03 111.011 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.0 m 64.11 51.6 2.18 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.2 1.0 . . . . 50.24 110.143 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 66.9 p -111.96 154.77 24.78 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.391 -0.822 . . . . 74.42 110.982 -176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.63 -43.55 11.84 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 115.824 -0.625 . . . . 64.52 112.585 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -157.67 99.98 1.75 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.148 0.579 . . . . 62.2 110.226 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 37' ' ' TRP . 18.3 m -87.95 133.68 29.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 N-CA-C 108.765 -0.828 . . . . 61.44 108.765 166.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.547 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 82.7 p -102.34 176.13 5.29 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.343 0.657 . . . . 75.51 110.172 177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 27.1 ptt180 -65.53 -28.69 69.35 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.06 0.763 . . . . 75.14 113.06 -170.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.34 27.91 8.86 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.707 0.403 . . . . 70.13 110.637 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.0 m -81.64 138.84 35.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 109.1 -0.704 . . . . 63.25 109.1 166.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 8.8 m-20 -95.69 129.99 42.73 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.501 0.72 . . . . 73.44 109.945 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -58.96 -63.24 1.37 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.093 0.957 . . . . 74.55 112.318 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -71.31 -32.76 69.0 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -68.99 -35.94 77.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.191 0.596 . . . . 74.21 110.17 178.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.91 -19.53 65.0 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.597 0.759 . . . . 65.5 110.608 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.95 15.89 4.19 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 116.365 -0.38 . . . . 41.52 113.586 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.9 131.01 17.76 Favored Glycine 0 C--N 1.347 1.139 0 CA-C-N 116.868 0.334 . . . . 61.32 112.55 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -94.58 166.1 12.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.128 0.571 . . . . 52.0 109.738 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -58.7 -46.74 86.61 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 124.092 0.957 . . . . 62.22 112.414 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.35 -42.09 96.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.722 0.809 . . . . 73.34 110.406 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -63.1 -33.45 75.48 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.373 -0.83 . . . . 75.35 109.603 177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.89 -33.0 70.13 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.693 0.797 . . . . 72.13 111.413 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 m -68.46 -36.79 79.49 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.634 0.774 . . . . 61.44 109.919 175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 92.7 mtt-85 -69.12 -41.39 77.45 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.336 -0.847 . . . . 75.34 110.528 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD21 ' HD1' ' A' ' 37' ' ' TRP . 2.4 tm? -62.8 -49.82 73.45 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.731 0.813 . . . . 72.34 110.033 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.3 p -62.35 -39.2 92.34 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.216 -0.902 . . . . 73.01 110.895 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.07 -42.67 99.87 Favored Glycine 0 C--N 1.344 1.026 0 CA-C-N 115.216 -0.902 . . . . 60.41 113.801 176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 86.0 mm-40 -63.74 -37.44 87.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.56 0.744 . . . . 65.31 110.322 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.78 -41.76 97.88 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.031 -0.986 . . . . 74.44 110.481 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -60.77 -35.99 77.84 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.155 0.582 . . . . 74.05 111.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -72.88 -28.15 62.33 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.467 -0.788 . . . . 73.24 110.503 177.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 4.93 30.85 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.687 0.795 . . . . 32.53 111.736 173.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.91 30.56 42.64 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.336 0.397 . . . . 61.24 113.271 176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.459 ' HE2' ' HG2' ' A' ' 32' ' ' GLN . 25.8 m-85 -121.92 126.31 48.35 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.95 0.9 . . . . 71.23 110.205 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.65 128.14 33.64 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 107.916 -1.142 . . . . 64.5 107.916 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.56 137.64 28.55 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.934 0.894 . . . . 75.3 110.177 -169.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -121.41 143.64 49.11 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.162 0.585 . . . . 65.53 110.17 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.42 -30.76 71.2 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.827 0.851 . . . . 45.24 109.073 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 82' ' ' PHE . 15.9 m -53.37 -39.11 63.95 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.914 0.886 . . . . 63.51 111.265 175.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.77 -17.51 50.68 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.129 -0.941 . . . . 73.44 111.705 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -74.49 -47.31 34.03 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.032 0.378 . . . . 74.15 111.327 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 79' ' ' SER . 18.2 p90 -78.84 -24.75 44.23 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.374 -0.204 . . . . 71.45 111.098 177.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -79.16 -32.46 44.31 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.802 0.441 . . . . 71.43 110.819 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -123.79 85.76 53.5 Favored Pre-proline 0 N--CA 1.476 0.873 0 N-CA-C 108.201 -1.037 . . . . 72.2 108.201 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.56 -32.63 24.23 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.644 2.229 . . . . 72.15 112.815 -173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -72.26 152.44 42.17 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.471 0.482 . . . . 74.33 110.739 -175.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.2 tt -62.28 -56.06 22.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.257 1.023 . . . . 71.12 110.734 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.08 58.39 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 123.584 0.553 . . . . 72.31 111.396 -175.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 86' ' ' ARG . 18.8 t0 -74.62 -32.97 62.48 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.853 0.861 . . . . 74.44 110.523 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -77.95 -38.38 45.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.115 0.566 . . . . 71.35 109.988 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.62 74.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.845 0.858 . . . . 73.13 111.602 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.4 -29.68 66.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.239 0.616 . . . . 44.44 111.367 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 32.3 p -93.22 8.4 40.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.415 0.686 . . . . 63.43 112.046 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 61.5 mt -83.95 140.73 31.74 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.289 0.566 . . . . 72.11 110.871 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -102.44 160.86 14.18 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.722 -1.214 . . . . 74.4 107.722 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.43 109.7 21.54 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.404 -0.591 . . . . 73.11 109.404 166.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.0 m -63.96 141.43 58.77 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.112 0.565 . . . . 64.33 110.522 176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -67.12 107.06 2.17 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.015 -0.735 . . . . 74.25 109.015 170.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.502 HG23 HG22 ' A' ' 101' ' ' VAL . 35.4 m -64.1 149.39 94.02 Favored Pre-proline 0 CA--C 1.555 1.152 0 O-C-N 123.801 0.688 . . . . 65.52 109.974 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -64.88 14.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 123.463 2.775 . . . . 64.13 116.201 -170.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 99' ' ' VAL . 15.1 m -74.41 -20.74 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.044 0.537 . . . . 63.41 111.05 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -170.66 1.31 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.265 0.626 . . . . 64.02 111.609 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -127.78 159.44 66.29 Favored Pre-proline 0 CA--C 1.551 0.984 0 C-N-CA 123.744 0.818 . . . . 71.11 110.087 -173.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.65 90.34 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.179 0 C-N-CA 122.301 2.001 . . . . 74.21 111.846 172.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -116.09 127.69 55.06 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.958 -1.127 . . . . 74.34 107.958 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.24 51.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 C-N-CA 123.369 0.667 . . . . 61.12 112.035 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -73.74 -24.5 59.9 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.155 0.582 . . . . 75.43 110.087 176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.0 p -72.8 147.14 88.73 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.831 0.852 . . . . 75.31 109.922 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -55.66 -31.92 81.56 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.28 2.653 . . . . 74.14 113.892 -173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.17 74.58 0.42 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.646 1.179 . . . . 73.22 108.909 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.251 1.135 0 CA-C-N 114.764 -1.107 . . . . 74.13 111.052 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.13 0 CA-C-O 120.381 -0.121 . . . . 55.13 112.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.5 m -81.9 122.84 28.25 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.596 0.758 . . . . 74.43 110.181 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -78.91 159.65 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 122.748 0.419 . . . . 74.22 110.246 173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -81.16 78.44 7.95 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 109.046 -0.724 . . . . 74.04 109.046 176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.424 ' HA ' HD23 ' A' ' 8' ' ' LEU . 30.4 p90 -84.12 -25.9 29.34 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 114.947 -1.024 . . . . 71.43 110.119 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -73.56 -16.34 61.26 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.558 0.743 . . . . 73.44 110.404 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.87 92.48 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.632 -0.507 . . . . 63.03 109.632 168.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 5' ' ' TYR . 2.9 mm? -75.64 -38.94 58.47 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.687 -0.688 . . . . 72.24 110.052 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -94.3 83.96 4.31 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.247 0.619 . . . . 71.24 110.661 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -104.35 101.89 11.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.492 -0.929 . . . . 50.22 108.492 175.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 152.8 42.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.999 0.92 . . . . 75.23 109.965 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.07 146.84 24.29 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.798 0.332 . . . . 71.1 110.656 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -113.45 142.49 27.64 Favored Pre-proline 0 CA--C 1.555 1.153 0 N-CA-C 107.103 -1.443 . . . . 53.01 107.103 168.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.626 ' HG2' ' HB3' ' A' ' 49' ' ' GLU . 78.8 Cg_exo -52.35 147.18 29.66 Favored 'Trans proline' 0 C--N 1.375 1.928 0 C-N-CA 122.823 2.349 . . . . 63.22 113.282 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.89 -53.17 59.49 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.531 0.732 . . . . 65.32 110.954 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.91 -39.46 14.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.415 0.686 . . . . 52.31 111.601 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 18' ' ' ASN . 38.7 mt-10 58.68 -157.89 0.31 Allowed 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 124.27 1.028 . . . . 75.54 112.122 -174.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.505 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 51.0 m-80 69.33 179.36 0.05 OUTLIER Pre-proline 0 C--N 1.37 1.46 0 C-N-CA 124.036 0.935 . . . . 75.23 110.918 171.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD2' ' HB3' ' A' ' 18' ' ' ASN . 96.1 Cg_endo -77.04 46.51 1.97 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.915 1.744 . . . . 60.43 113.163 166.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.91 -60.92 2.04 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 122.806 0.442 . . . . 32.24 110.597 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -83.34 -86.64 0.11 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.291 0.636 . . . . 71.04 110.257 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -175.25 68.43 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 CA-C-O 121.944 0.878 . . . . 71.35 109.154 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.39 19.42 18.25 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.95 -1.023 . . . . 72.01 110.934 -171.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' HG22 ' A' ' 47' ' ' THR . 8.4 mp -57.81 137.84 82.97 Favored Pre-proline 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 70.13 111.612 -169.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 64.5 Cg_endo -69.52 119.84 6.74 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.777 2.318 . . . . 73.12 111.599 -169.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -126.8 105.54 8.73 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.972 0.909 . . . . 74.32 108.941 -172.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.89 168.92 16.09 Favored Glycine 0 C--N 1.338 0.687 0 N-CA-C 110.662 -0.975 . . . . 51.41 110.662 -176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -66.13 -54.01 30.78 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.383 0.591 . . . . 52.42 110.379 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.7 mm -72.8 -36.75 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.351 -0.841 . . . . 73.14 110.2 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.73 -49.64 72.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.183 0.593 . . . . 75.3 110.862 -178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -67.12 -32.12 73.04 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.569 0.748 . . . . 73.43 111.385 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -71.18 -52.77 17.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.354 0.662 . . . . 73.41 111.512 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -61.75 -37.09 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.876 -0.602 . . . . 63.4 110.112 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.87 99.52 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 123.17 0.588 . . . . 71.3 111.827 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.56 -45.79 88.24 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 123.893 0.746 . . . . 65.11 110.212 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.64 -43.68 92.89 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 124.155 0.909 . . . . 71.02 111.546 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.711 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.8 m0 -63.27 -35.04 79.03 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 120.758 0.313 . . . . 72.34 110.447 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.1 mt-30 -75.26 -17.95 60.19 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.792 0.437 . . . . 60.33 111.965 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 63.5 mm-40 -84.22 -63.53 1.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.365 -0.606 . . . . 74.12 109.365 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HE21 ' A' ' 68' ' ' GLN . 4.1 mm? -62.28 -42.09 99.05 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.019 0.927 . . . . 74.24 112.1 -172.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 43' ' ' THR . 25.1 mt -90.47 -17.11 27.7 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.245 0.218 . . . . 74.03 110.782 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.5 m 65.57 44.46 3.01 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.292 1.037 . . . . 50.24 110.928 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.498 HG21 ' HG3' ' A' ' 55' ' ' GLN . 42.7 p -100.76 158.63 15.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.154 0.981 . . . . 74.42 112.19 -169.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.96 -62.56 2.76 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 115.634 -0.712 . . . . 64.52 111.684 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -137.61 99.36 3.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.423 0.689 . . . . 62.2 110.474 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.711 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.2 m -82.6 126.28 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 107.361 -1.348 . . . . 61.44 107.361 158.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.524 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 47.0 p -115.67 179.61 3.92 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.084 0.554 . . . . 75.51 110.945 -174.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -43.51 -47.81 7.29 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.573 1.549 . . . . 75.14 113.058 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.626 ' HB3' ' HG2' ' A' ' 14' ' ' PRO . 20.1 mm-40 -112.69 25.71 11.21 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.741 -0.663 . . . . 70.13 111.776 -172.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -86.75 137.39 32.48 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.798 -0.816 . . . . 63.25 108.798 165.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -93.41 140.85 29.11 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.531 0.732 . . . . 73.44 109.387 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -58.01 -51.61 68.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.32 1.048 . . . . 74.55 111.065 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -66.3 -46.45 76.91 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.21 -0.904 . . . . 72.24 111.31 -172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.13 -33.08 73.81 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.734 0.814 . . . . 74.21 111.147 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.516 ' HG2' HG12 ' A' ' 46' ' ' VAL . 41.5 tp60 -87.77 24.32 1.77 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 123.617 0.767 . . . . 65.5 111.171 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.23 20.93 36.87 Favored Glycine 0 C--N 1.353 1.515 0 CA-C-N 116.588 -0.278 . . . . 41.52 113.03 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.16 159.34 21.3 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 123.086 0.374 . . . . 61.32 112.696 176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -147.63 166.7 26.61 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.386 -0.968 . . . . 52.0 108.386 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.4 p -55.14 -30.87 60.71 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.814 0.845 . . . . 62.22 112.389 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.74 -53.67 47.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.299 1.04 . . . . 73.34 109.681 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.49 -26.54 66.41 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.661 0.784 . . . . 75.35 110.7 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.72 -35.73 62.69 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.34 1.056 . . . . 72.13 111.54 -176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.1 m -61.14 -34.86 75.68 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.724 0.81 . . . . 61.44 110.692 174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -82.42 -32.43 29.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.381 -0.827 . . . . 75.34 110.968 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.41 -52.65 44.39 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.886 0.875 . . . . 72.34 109.074 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.6 p -67.05 -32.16 73.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 114.53 -1.214 . . . . 73.01 110.597 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -59.8 -39.62 95.62 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.093 -0.958 . . . . 60.41 113.687 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.572 HE21 HD21 ' A' ' 40' ' ' LEU . 1.8 mp0 -63.66 -40.31 96.52 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.49 0.716 . . . . 65.31 110.014 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 76.2 mt -65.4 -32.83 74.67 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.281 0.633 . . . . 74.44 111.6 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -59.71 -39.9 86.18 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 121.364 0.602 . . . . 74.05 110.703 175.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -73.94 -23.38 59.5 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.577 -1.192 . . . . 73.24 110.467 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.44 -0.16 56.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.77 0.828 . . . . 32.53 111.881 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.33 Favored Glycine 0 C--N 1.347 1.146 0 CA-C-N 117.044 -0.071 . . . . 61.24 113.255 178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 78.9 m-85 -122.24 135.61 54.78 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.275 1.03 . . . . 71.23 109.361 173.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -89.33 116.73 27.76 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 107.32 -1.363 . . . . 64.5 107.32 174.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.92 138.9 25.87 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.365 1.066 . . . . 75.3 108.978 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tm0? -136.03 163.89 29.27 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 108.019 -1.104 . . . . 65.53 108.019 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.95 -30.92 16.2 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.997 0.919 . . . . 45.24 111.369 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.9 p -57.23 -40.6 77.91 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.966 0.906 . . . . 63.51 111.595 176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -68.13 -47.94 66.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.24 0.616 . . . . 73.44 111.305 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.0 -30.41 71.49 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.381 0.673 . . . . 74.15 112.767 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -87.61 -44.03 11.53 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.393 -0.225 . . . . 71.45 110.393 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -66.93 -23.1 65.94 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.043 0.537 . . . . 71.43 111.155 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -135.55 78.24 50.7 Favored Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 124.601 1.161 . . . . 72.2 108.238 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.17 -43.25 43.24 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.475 2.784 . . . . 72.15 113.443 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.16 146.81 52.15 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.341 0.257 . . . . 74.33 111.121 -178.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.33 -47.23 86.18 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.197 0.999 . . . . 71.12 111.683 -172.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.17 58.38 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.449 0.468 . . . . 72.31 111.041 -173.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -72.13 -33.92 68.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 121.486 0.66 . . . . 74.44 110.027 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -72.26 -40.28 67.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.332 1.053 . . . . 71.35 110.127 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.86 66.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.597 0.759 . . . . 73.13 110.722 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.37 68.18 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.888 0.875 . . . . 44.44 111.772 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.1 t -88.32 -6.79 57.53 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.175 0.435 . . . . 63.43 112.175 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.7 mt -66.62 121.72 16.0 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.236 0.541 . . . . 72.11 111.265 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.8 mtm-85 -96.67 130.06 43.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.136 0.975 . . . . 74.4 108.57 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -74.4 117.56 16.35 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 110.131 -0.322 . . . . 73.11 110.131 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -72.76 130.53 40.71 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.038 0.935 . . . . 64.33 110.484 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.26 103.35 1.23 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 108.099 -1.074 . . . . 74.25 108.099 172.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.72 153.42 87.26 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.327 0.651 . . . . 65.52 112.075 -169.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.77 -40.2 7.87 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 124.472 3.448 . . . . 64.13 115.504 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.8 p -69.5 99.95 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 121.528 0.68 . . . . 63.41 109.369 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 43.2 tt0 -60.4 150.77 29.86 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.056 1.342 . . . . 64.02 112.343 -170.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.602 ' HG3' ' HG2' ' A' ' 102' ' ' GLU . 38.7 mt-30 64.38 52.76 1.24 Allowed Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.902 1.281 . . . . 71.11 110.844 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 16.5 Cg_exo -67.8 -43.36 5.35 Favored 'Trans proline' 0 C--N 1.389 2.678 0 C-N-CA 123.119 2.546 . . . . 74.21 111.717 -173.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -113.85 28.89 8.41 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.757 1.223 . . . . 74.34 109.643 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 65.52 102.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 125.259 1.424 . . . . 61.12 110.06 -168.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.541 ' HB3' ' HG2' ' A' ' 103' ' ' GLN . 28.7 t60 -73.45 99.85 3.09 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 107.732 -1.21 . . . . 75.43 107.732 171.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -66.3 149.22 98.1 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 115.316 -0.856 . . . . 75.31 110.203 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -56.84 120.31 8.14 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 121.767 1.645 . . . . 74.14 109.188 167.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -54.96 -50.69 68.3 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 123.948 0.78 . . . . 73.22 111.583 -174.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.364 1.066 . . . . 74.13 109.156 175.399 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 CA-C-O 119.692 -0.504 . . . . 55.13 113.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.4 p -87.61 164.85 15.85 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 117.497 0.648 . . . . 74.43 111.382 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.0 pt -70.38 94.33 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.557 0.694 . . . . 74.22 110.811 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.18 132.34 48.23 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 115.486 -0.779 . . . . 74.04 110.201 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -61.72 -32.61 72.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.29 1.036 . . . . 71.43 112.627 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -87.82 -33.68 18.51 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.074 0.549 . . . . 73.44 111.363 -178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.76 -28.96 65.08 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.014 0.525 . . . . 63.03 110.713 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -76.14 -39.25 55.48 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.948 0.899 . . . . 72.24 109.796 172.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' HZ2' ' HB2' ' A' ' 9' ' ' LYS . 4.7 ttmp? -76.84 99.25 5.1 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.346 -0.843 . . . . 71.24 110.941 -177.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -157.18 -38.42 0.07 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.936 -0.575 . . . . 50.22 110.206 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 61.07 32.21 19.76 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.297 0.998 . . . . 75.23 110.46 -171.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -62.24 102.32 0.29 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-N 114.805 -1.089 . . . . 71.1 108.207 176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.5 m -51.57 111.5 2.45 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 124.792 1.308 . . . . 53.01 110.66 -173.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.59 46.61 1.96 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.183 2.588 . . . . 63.22 111.813 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -73.84 74.49 1.61 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.182 0.993 . . . . 65.32 108.359 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.47 -174.6 0.6 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.204 -1.362 . . . . 52.31 109.536 -168.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.47 54.6 0.66 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 122.157 0.979 . . . . 75.54 109.486 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.33 170.34 15.16 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 114.62 -1.173 . . . . 75.23 110.608 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.6 84.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 122.685 2.257 . . . . 60.43 111.949 167.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.27 -66.19 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.23 1.412 . . . . 32.24 108.304 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -74.09 -24.51 59.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.076 0.769 . . . . 71.04 113.076 -174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -10.92 57.42 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.37 0.605 . . . . 71.35 110.506 170.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.63 27.66 5.69 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.037 1.335 . . . . 72.01 109.403 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.78 150.99 34.33 Favored Pre-proline 0 CA--C 1.554 1.106 0 C-N-CA 123.602 0.761 . . . . 70.13 111.519 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.08 123.19 12.68 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 123.107 2.538 . . . . 73.12 113.254 -172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -121.28 114.02 20.77 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 124.406 1.082 . . . . 74.32 108.611 -175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.81 154.98 8.59 Favored Glycine 0 N--CA 1.467 0.71 0 N-CA-C 110.825 -0.91 . . . . 51.41 110.825 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.553 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 26.0 t70 -66.76 -40.19 88.17 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.832 0.853 . . . . 52.42 112.618 -171.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.0 mm -77.15 -41.46 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 122.893 0.477 . . . . 73.14 109.861 176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.89 0.476 . . . . 75.3 111.125 -172.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 28' ' ' ASP . 63.7 pttt -70.53 -31.41 68.46 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.778 -0.647 . . . . 73.43 110.85 177.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -65.48 -53.87 36.39 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.857 0.863 . . . . 73.41 110.296 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG11 ' HD1' ' A' ' 90' ' ' PHE . 97.8 t -56.1 -47.8 79.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 O-C-N 124.471 1.107 . . . . 63.4 110.281 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -48.13 79.56 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 114.854 -1.066 . . . . 71.3 112.305 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.74 -40.26 83.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 124.165 0.915 . . . . 65.11 110.923 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.14 -41.66 81.28 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.173 0.92 . . . . 71.02 111.138 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.634 ' HB2' HG21 ' A' ' 46' ' ' VAL . 32.9 m0 -63.02 -33.47 75.49 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.937 0.495 . . . . 72.34 110.707 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.516 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.2 mt-30 -71.74 -28.42 63.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.693 0.397 . . . . 60.33 111.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 73.5 mm-40 -73.67 -56.72 4.65 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 121.252 0.548 . . . . 74.12 109.829 175.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.3 mm? -71.4 -48.87 47.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.645 1.178 . . . . 74.24 113.001 -171.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.1 -12.6 60.14 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 122.565 0.346 . . . . 74.03 111.419 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 m 61.79 43.23 9.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.205 1.002 . . . . 50.24 110.833 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 73.4 p -100.77 151.7 21.38 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 114.922 -1.036 . . . . 74.42 110.36 -176.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.13 -48.23 48.15 Favored Glycine 0 C--N 1.349 1.264 0 O-C-N 123.524 0.515 . . . . 64.52 112.492 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -158.74 112.11 2.36 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.387 0.675 . . . . 62.2 109.341 176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.634 HG21 ' HB2' ' A' ' 37' ' ' TRP . 30.1 m -88.88 133.48 30.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 N-CA-C 107.965 -1.124 . . . . 61.44 107.965 165.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -111.43 -176.5 2.96 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.128 0.971 . . . . 75.51 110.325 -175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 20.8 ptt180 -59.02 -31.74 69.1 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 112.4 0.519 . . . . 75.14 112.4 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 10.0 mm-40 -98.61 10.45 41.02 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.379 0.672 . . . . 70.13 112.1 -175.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.0 m -79.35 121.63 25.36 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.106 -0.702 . . . . 63.25 109.106 170.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 5.0 m-20 -95.05 124.28 39.01 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.915 0.886 . . . . 73.44 108.618 174.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -50.85 -57.54 8.2 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.268 1.027 . . . . 74.55 112.865 -172.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 84.8 m-85 -71.04 -29.54 65.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.538 0.735 . . . . 72.24 111.387 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 26.4 tp60 -78.7 -20.68 49.57 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 115.067 -0.97 . . . . 74.21 110.926 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -80.0 -21.77 43.26 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.95 0.9 . . . . 65.5 111.013 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.41 13.91 5.58 Favored Glycine 0 C--N 1.342 0.915 0 CA-C-N 116.457 -0.338 . . . . 41.52 112.763 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.461 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -89.54 148.49 20.03 Favored Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.11 -0.796 . . . . 61.32 111.11 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -117.03 174.62 6.0 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.409 0.684 . . . . 52.0 109.821 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.7 p -66.4 -31.2 71.82 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.969 0.908 . . . . 62.22 112.071 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.97 -49.32 65.78 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.255 1.022 . . . . 73.34 109.398 175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.8 tt -61.67 -35.53 78.24 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.516 1.127 . . . . 75.35 109.311 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.09 79.12 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.61 1.164 . . . . 72.13 111.741 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.8 m -65.45 -39.0 91.51 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.173 0.589 . . . . 61.44 110.135 177.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -72.77 -28.31 62.53 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.649 -0.705 . . . . 75.34 111.208 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.83 -49.83 42.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.18 0.992 . . . . 72.34 109.99 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.6 p -60.46 -30.19 69.51 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.775 0.83 . . . . 73.01 111.673 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -50.92 -42.01 46.12 Favored Glycine 0 C--N 1.346 1.101 0 O-C-N 124.4 1.062 . . . . 60.41 114.806 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.21 -49.16 76.89 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.008 0.523 . . . . 65.31 110.366 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -57.66 -39.33 76.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 115.695 -0.684 . . . . 74.44 111.087 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -60.78 -43.82 97.6 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.927 0.891 . . . . 74.05 111.768 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -74.43 -17.06 60.84 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 115.232 -0.894 . . . . 73.24 111.396 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -7.85 57.37 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.689 0.795 . . . . 32.53 111.359 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.98 31.9 13.83 Favored Glycine 0 C--N 1.348 1.234 0 CA-C-N 116.091 -0.504 . . . . 61.24 112.799 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 66.2 m-85 -121.92 125.26 45.99 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.43 1.092 . . . . 71.23 109.634 175.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -73.3 128.31 35.13 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.296 -0.631 . . . . 64.5 109.296 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.17 117.62 8.53 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.857 1.263 . . . . 75.3 108.761 -173.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -124.15 163.53 21.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.42 0.688 . . . . 65.53 110.918 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.23 -29.15 70.19 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.483 -0.78 . . . . 45.24 110.648 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m -58.52 -39.31 79.77 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 124.122 0.969 . . . . 63.51 110.885 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -71.17 -52.9 16.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 115.589 -0.732 . . . . 73.44 111.055 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.53 -39.39 93.69 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.69 0.796 . . . . 74.15 112.996 -175.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.36 -34.8 58.91 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.921 0.489 . . . . 71.45 110.443 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -84.24 -30.88 25.34 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.023 0.529 . . . . 71.43 110.829 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -127.83 79.62 73.37 Favored Pre-proline 0 N--CA 1.48 1.046 0 N-CA-C 108.565 -0.902 . . . . 72.2 108.565 -177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.573 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 6.1 Cg_exo -75.63 -42.26 0.47 Allowed 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.633 2.222 . . . . 72.15 111.553 177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.542 ' HD3' ' HA ' ' A' ' 49' ' ' GLU . 3.0 tpp180 -38.74 112.47 0.24 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.283 1.833 . . . . 74.33 111.545 166.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.77 -53.08 59.78 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.516 1.126 . . . . 71.12 112.672 -169.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -61.0 -37.35 82.21 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.547 0.53 . . . . 72.31 111.478 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -74.4 -30.88 62.13 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.945 -1.025 . . . . 74.44 110.695 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' HA ' HG22 ' A' ' 93' ' ' THR . 63.6 t80 -71.21 -36.26 71.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.298 0.639 . . . . 71.35 110.326 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.15 68.54 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.179 0.592 . . . . 73.13 111.094 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.06 -39.12 26.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.851 0.86 . . . . 44.44 111.627 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 90' ' ' PHE . 8.5 t -75.22 -17.76 60.27 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.508 0.323 . . . . 63.43 111.62 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.1 mt -63.13 144.43 56.91 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 121.549 0.69 . . . . 72.11 111.655 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.2 ttm-85 -131.47 169.59 15.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.403 -1.332 . . . . 74.4 107.403 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 87.1 mttt -88.4 145.24 25.9 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.427 0.558 . . . . 73.11 110.421 176.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.8 m -77.56 136.19 38.26 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.547 0.739 . . . . 64.33 109.616 176.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.25 122.96 25.8 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 107.782 -1.192 . . . . 74.25 107.782 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.36 153.56 92.44 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 123.25 0.62 . . . . 65.52 110.637 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.34 25.36 0.58 Allowed 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.66 2.24 . . . . 64.13 113.475 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.5 t 66.17 107.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.933 0 C-N-CA 125.789 1.636 . . . . 63.41 110.788 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -71.54 -40.46 70.04 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.687 0.795 . . . . 64.02 109.75 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -62.35 154.33 72.09 Favored Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 124.505 1.122 . . . . 71.11 110.955 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -44.55 94.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.388 2.644 0 C-N-CA 123.878 3.052 . . . . 74.21 114.139 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 107' ' ' HIS . 59.3 t80 -90.92 -176.68 4.72 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.506 1.123 . . . . 74.34 108.581 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.49 82.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.748 0.819 . . . . 61.12 110.145 175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 105' ' ' PHE . 94.0 m-70 -145.3 156.69 43.96 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.385 1.474 . . . . 75.43 108.848 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.3 p -133.71 96.76 16.26 Favored Pre-proline 0 CA--C 1.543 0.699 0 N-CA-C 109.788 -0.449 . . . . 75.31 109.788 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -64.45 91.42 0.18 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 122.478 2.118 . . . . 74.14 111.739 174.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -117.33 175.36 5.65 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 114.697 -1.138 . . . . 73.22 110.148 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 119.156 -0.45 . . . . 74.13 110.291 176.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.081 -0.407 . . . . 55.13 112.081 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.9 m -144.72 100.88 3.58 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.956 0.903 . . . . 74.43 109.101 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 13.1 tt -71.98 139.12 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 N-CA-C 108.37 -0.974 . . . . 74.22 108.37 169.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.46 87.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.346 0.658 . . . . 74.04 111.496 -172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -72.91 -32.75 65.54 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.712 -0.676 . . . . 71.43 109.334 169.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -59.29 -40.06 84.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.832 1.253 . . . . 73.44 111.126 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.8 78.65 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.537 0.523 . . . . 63.03 110.627 174.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp 68.28 -72.76 0.09 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 125.253 1.421 . . . . 72.24 111.757 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.27 98.04 5.96 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 106.313 -1.736 . . . . 71.24 106.313 175.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -66.43 128.19 35.23 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.584 -0.895 . . . . 50.22 108.584 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -143.4 145.3 32.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.007 0.432 . . . . 75.23 111.295 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -176.42 -175.73 0.7 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.397 1.479 . . . . 71.1 108.722 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -67.21 169.97 7.46 Favored Pre-proline 0 CA--C 1.568 1.638 0 C-N-CA 123.878 0.871 . . . . 53.01 112.229 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 20.9 Cg_endo -60.51 -15.11 34.27 Favored 'Trans proline' 0 C--N 1.384 2.431 0 C-N-CA 122.805 2.337 . . . . 63.22 113.878 171.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.7 101.46 0.09 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.831 0.852 . . . . 65.32 111.17 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.21 -159.67 0.67 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.22 1.008 . . . . 52.31 109.135 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 10.0 mp0 -74.94 -176.29 2.87 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.213 0.605 . . . . 75.54 110.706 171.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.15 145.91 92.93 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 123.165 0.586 . . . . 75.23 110.99 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 23' ' ' ASP . 77.8 Cg_exo -52.56 155.29 10.34 Favored 'Trans proline' 0 C--N 1.383 2.393 0 C-N-CA 123.45 2.767 . . . . 60.43 113.134 172.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 79.59 -16.97 0.62 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.408 1.483 . . . . 32.24 113.214 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -103.83 -88.37 0.42 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.138 0.575 . . . . 71.04 110.662 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -88.49 6.94 35.36 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.062 0.458 . . . . 71.35 111.945 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 13.3 t70 -83.51 2.36 37.34 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 124.06 0.944 . . . . 72.01 110.17 175.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 32.0 tp -49.72 128.58 19.86 Favored Pre-proline 0 N--CA 1.487 1.389 0 C-N-CA 125.571 1.548 . . . . 70.13 111.039 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 47.5 Cg_exo -55.49 134.63 65.03 Favored 'Trans proline' 0 C--N 1.384 2.4 0 C-N-CA 123.616 2.878 . . . . 73.12 113.784 -167.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -104.04 109.74 21.63 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.717 -0.674 . . . . 74.32 110.172 -167.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.71 171.4 13.2 Favored Glycine 0 N--CA 1.476 1.324 0 N-CA-C 111.819 -0.512 . . . . 51.41 111.819 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 19.3 t70 -68.63 -46.24 69.75 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.798 0.839 . . . . 52.42 112.076 -174.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mm -71.31 -39.72 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 122.771 0.429 . . . . 73.14 110.189 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.4 mp0 -66.58 -38.17 86.48 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.638 0.775 . . . . 75.3 110.59 -177.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 17.3 pttm -73.0 -29.84 63.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.437 0.295 . . . . 73.43 110.314 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.11 -53.48 25.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.599 0.76 . . . . 73.41 110.141 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.87 -36.76 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 114.718 -1.128 . . . . 63.4 110.262 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.65 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -58.9 -47.38 85.2 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.246 0.618 . . . . 71.3 111.668 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.32 94.1 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.713 0.633 . . . . 65.11 110.796 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.88 -44.07 94.12 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.41 0.684 . . . . 71.02 111.451 -178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.739 ' HB2' HG21 ' A' ' 46' ' ' VAL . 19.1 m0 -64.03 -40.41 96.25 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 122.599 0.359 . . . . 72.34 110.841 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.683 ' HG3' HG22 ' A' ' 46' ' ' VAL . 68.1 mt-30 -64.24 -28.11 69.51 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.327 0.651 . . . . 60.33 112.092 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -83.2 -60.42 2.15 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.629 0.772 . . . . 74.12 110.652 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.85 -47.26 85.84 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.445 1.098 . . . . 74.24 111.883 -174.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.9 mt -80.12 -19.87 46.31 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.955 0.502 . . . . 74.03 110.863 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m 62.26 50.46 3.85 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.56 1.144 . . . . 50.24 110.631 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.4 p -100.87 157.34 16.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.982 0.913 . . . . 74.42 111.081 -173.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.75 -44.89 97.29 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.832 0.707 . . . . 64.52 111.585 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -165.12 146.6 7.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.584 0.754 . . . . 62.2 109.558 174.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.8 m -122.19 144.91 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 108.035 -1.098 . . . . 61.44 108.035 169.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.616 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 44.0 p -124.99 177.26 6.15 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.004 0.522 . . . . 75.51 111.751 -172.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 34.9 ptt180 -53.44 -32.7 51.05 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 124.027 0.829 . . . . 75.14 112.597 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 41.0 mt-10 -117.84 25.7 10.19 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.202 0.445 . . . . 70.13 112.202 -177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.8 m -80.8 136.35 36.11 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 108.476 -0.935 . . . . 63.25 108.476 164.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 85' ' ' PRO . 9.1 t0 -96.86 139.23 33.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.705 0.802 . . . . 73.44 109.288 171.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -62.01 -46.15 90.45 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.964 1.306 . . . . 74.55 110.633 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -77.55 -31.99 53.6 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.709 -173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -71.7 -33.19 68.58 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.863 0.465 . . . . 74.21 109.992 176.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -69.49 -18.89 63.73 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.792 0.837 . . . . 65.5 110.505 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.05 -5.82 10.32 Favored Glycine 0 C--N 1.353 1.518 0 CA-C-O 119.796 -0.447 . . . . 41.52 113.869 174.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.06 136.73 25.69 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.726 -0.485 . . . . 61.32 112.597 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -99.88 -178.14 3.77 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.469 0.708 . . . . 52.0 109.24 -177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.679 ' HB2' HD11 ' A' ' 78' ' ' LEU . 63.6 p -67.79 -34.54 76.98 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.11 0.964 . . . . 62.22 112.23 -175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.28 -45.86 78.99 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.002 0.521 . . . . 73.34 109.796 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.4 -33.9 77.04 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.435 -0.802 . . . . 75.35 109.086 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.66 84.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.779 0.832 . . . . 72.13 111.499 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 m -69.24 -36.56 77.32 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.61 0.764 . . . . 61.44 110.905 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 75.1 mtt180 -71.7 -36.24 70.51 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.031 0.533 . . . . 75.34 111.182 175.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.78 -49.28 63.26 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.102 0.961 . . . . 72.34 109.838 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 60.7 p -68.0 -28.91 67.83 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.137 -0.938 . . . . 73.01 110.628 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -67.19 -31.57 77.82 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 115.023 -0.989 . . . . 60.41 113.319 172.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.52 ' HA ' HE21 ' A' ' 71' ' ' GLN . 86.6 mm-40 -60.01 -44.74 94.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 117.258 0.529 . . . . 65.31 110.216 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -64.64 -34.54 78.51 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.175 -0.921 . . . . 74.44 111.308 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -60.26 -39.09 85.54 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 122.753 0.421 . . . . 74.05 111.308 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 68' ' ' GLN . 43.2 mt-30 -70.73 -28.29 64.61 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.418 -0.81 . . . . 73.24 110.698 176.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.79 -19.89 54.26 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.797 0.839 . . . . 32.53 111.886 176.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.93 25.85 13.9 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.436 -0.347 . . . . 61.24 112.672 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -121.53 127.35 50.89 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.708 1.203 . . . . 71.23 108.493 173.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -76.89 133.39 39.29 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-O 121.361 0.6 . . . . 64.5 110.136 177.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.481 ' O ' ' HB ' ' A' ' 66' ' ' THR . . . -155.42 125.83 6.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.432 -1.258 . . . . 75.3 107.916 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -114.08 163.88 14.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.815 0.846 . . . . 65.53 109.397 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 59' ' ' SER . 4.6 tt -52.87 -39.04 62.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.117 0.967 . . . . 45.24 110.273 175.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.5 m -61.11 -30.93 70.66 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.494 -0.776 . . . . 63.51 112.574 177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -39.71 80.78 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.785 0.434 . . . . 73.44 110.661 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.68 -34.35 69.59 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 111.894 0.331 . . . . 74.15 111.894 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -83.5 -26.74 29.94 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 122.67 0.388 . . . . 71.45 110.895 -176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -86.12 -30.84 22.23 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 122.737 0.415 . . . . 71.43 110.51 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -121.91 87.91 47.2 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.606 -0.887 . . . . 72.2 108.606 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HB2' ' HD2' ' A' ' 86' ' ' ARG . 52.1 Cg_exo -57.79 -49.9 11.87 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.979 2.453 . . . . 72.15 112.56 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HD2' ' HB2' ' A' ' 85' ' ' PRO . 6.1 mpt_? -67.78 138.06 55.89 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.756 -1.111 . . . . 74.33 110.178 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.7 tt -54.76 -41.73 70.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.958 1.303 . . . . 71.12 111.736 -177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.42 56.98 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.28 0.632 . . . . 72.31 111.285 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -66.19 -31.99 73.15 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 121.303 0.573 . . . . 74.44 110.431 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -74.2 -37.47 63.9 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.062 -0.972 . . . . 71.35 109.854 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.44 -19.75 60.89 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.101 0.56 . . . . 73.13 111.212 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.02 -35.98 31.19 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.735 0.814 . . . . 44.44 111.663 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.8 t -81.12 -8.2 59.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.964 0.506 . . . . 63.43 111.723 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 76' ' ' ALA . 63.8 mt -70.38 134.29 47.73 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.63 0.252 . . . . 72.11 110.825 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.69 132.18 55.89 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 106.595 -1.632 . . . . 74.4 106.595 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -69.78 110.19 4.8 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 109.167 -0.679 . . . . 73.11 109.167 177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.3 m -55.38 147.52 17.02 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.582 1.153 . . . . 64.33 111.016 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -51.99 131.87 31.94 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 123.51 0.724 . . . . 74.25 109.845 171.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.4 t -61.64 113.36 8.05 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 124.599 1.187 . . . . 65.52 110.465 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.33 170.87 12.56 Favored 'Trans proline' 0 C--N 1.377 2.04 0 C-N-CA 122.875 2.384 . . . . 64.13 111.878 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 54.3 t 73.84 -58.38 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 124.795 1.238 . . . . 63.41 110.659 -176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -78.76 26.11 0.25 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.11 0.964 . . . . 64.02 112.569 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.59 98.6 11.27 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.858 0.863 . . . . 71.11 108.777 172.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.38 26.22 0.56 Allowed 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 123.081 2.521 . . . . 74.21 112.681 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -70.62 93.43 0.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.751 0.82 . . . . 74.34 111.175 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 t 48.85 81.38 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.761 1.624 . . . . 61.12 113.39 166.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -66.69 -41.14 88.54 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.941 0.496 . . . . 75.43 111.177 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.6 p -112.63 95.6 33.27 Favored Pre-proline 0 CA--C 1.546 0.808 0 N-CA-C 109.249 -0.649 . . . . 75.31 109.249 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -84.36 8.65 4.51 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.696 2.264 . . . . 74.14 113.008 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -149.58 126.71 11.31 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.553 -0.906 . . . . 73.22 108.553 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.641 -0.874 . . . . 74.13 108.641 177.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.972 -0.451 . . . . 55.13 111.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.7 p -89.7 -17.85 27.54 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.516 0.726 . . . . 74.43 111.397 176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mm 56.36 88.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.578 1.151 . . . . 74.22 110.046 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.51 99.8 1.02 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.196 0.598 . . . . 74.04 109.895 -174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -73.5 -7.02 50.11 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.382 0.673 . . . . 71.43 112.684 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -85.89 -29.73 23.43 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.183 0.593 . . . . 73.44 109.904 171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.86 71.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.791 0.837 . . . . 63.03 111.465 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.14 137.64 33.43 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.671 -0.863 . . . . 72.24 108.671 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -146.41 117.89 7.98 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.032 0.533 . . . . 71.24 109.822 -176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -82.6 142.62 31.61 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.92 0.888 . . . . 50.22 110.041 175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.1 165.67 11.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.486 0.715 . . . . 75.23 109.269 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 17.7 m-70 -73.74 159.97 32.2 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 108.905 -0.776 . . . . 71.1 108.905 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -95.04 99.93 4.94 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 123.154 0.582 . . . . 53.01 110.382 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 98.2 Cg_endo -84.64 126.09 3.43 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.845 2.363 . . . . 63.22 112.434 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -168.06 145.38 4.21 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.287 0.635 . . . . 65.32 109.405 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.16 132.06 56.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.144 0.578 . . . . 52.31 109.875 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -123.08 -155.93 0.68 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.15 0.98 . . . . 75.54 109.549 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -113.27 84.15 7.18 Favored Pre-proline 0 N--CA 1.484 1.272 0 N-CA-C 107.628 -1.249 . . . . 75.23 107.628 168.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -96.53 112.82 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.198 0 C-N-CA 123.358 2.705 . . . . 60.43 113.505 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.73 -77.27 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 112.092 0.404 . . . . 32.24 112.092 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.74 -34.87 6.34 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 122.849 0.46 . . . . 71.04 112.211 -166.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.26 -17.12 63.72 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.866 0.365 . . . . 71.35 111.269 176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -88.61 -6.09 57.74 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.409 -0.814 . . . . 72.01 111.579 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 tp -60.42 125.65 82.54 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.089 0.556 . . . . 70.13 109.842 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 87.5 Cg_exo -50.95 123.91 12.72 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 124.016 3.144 . . . . 73.12 114.53 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -118.33 118.46 31.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.739 1.216 . . . . 74.32 109.1 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.87 160.53 10.58 Favored Glycine 0 C--N 1.343 0.943 0 N-CA-C 111.006 -0.838 . . . . 51.41 111.006 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.69 -44.66 93.04 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.427 0.691 . . . . 52.42 112.351 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.6 mm -71.01 -42.62 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 123.447 0.467 . . . . 73.14 109.801 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 10.9 mp0 -66.03 -44.2 85.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.515 -0.766 . . . . 75.3 110.779 -176.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -70.77 -28.52 64.74 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 123.35 0.406 . . . . 73.43 111.112 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 57.9 tp60 -67.18 -57.78 6.1 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.388 0.675 . . . . 73.41 109.654 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.7 t -56.39 -43.0 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 O-C-N 124.509 1.131 . . . . 63.4 110.714 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -58.63 -53.82 54.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 115.47 -0.786 . . . . 71.3 111.786 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -55.53 -35.33 65.55 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 124.137 0.898 . . . . 65.11 111.582 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 32' ' ' GLN . 70.9 mt -68.57 -42.9 77.65 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.397 0.679 . . . . 71.02 110.609 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 26.3 m0 -64.72 -31.57 72.86 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.173 0.589 . . . . 72.34 111.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' NE2' HG22 ' A' ' 46' ' ' VAL . 4.4 mp0 -59.47 -40.05 85.68 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 122.601 0.36 . . . . 60.33 111.285 173.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 34.5 mm-40 -83.45 -58.27 2.9 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.448 0.642 . . . . 74.12 110.094 -174.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -66.25 -42.08 89.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.931 1.292 . . . . 74.24 112.656 -172.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 mt -85.33 -14.32 46.86 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 110.268 -0.271 . . . . 74.03 110.268 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.3 m 62.98 43.0 6.96 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.502 1.121 . . . . 50.24 110.661 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -101.46 145.99 28.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.436 1.094 . . . . 74.42 110.632 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -44.93 11.29 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 111.297 -0.721 . . . . 64.52 111.297 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -124.86 127.82 47.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.437 0.695 . . . . 62.2 110.88 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG22 ' NE2' ' A' ' 38' ' ' GLN . 33.5 m -133.53 139.82 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 107.612 -1.255 . . . . 61.44 107.612 164.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.669 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.0 p -129.97 176.05 8.38 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.987 0.915 . . . . 75.51 109.649 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.6 ptt180 -57.43 -31.4 65.86 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.037 0.935 . . . . 75.14 111.986 -177.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.16 -22.23 39.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.813 1.245 . . . . 70.13 111.879 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -60.95 126.77 28.59 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 123.79 0.836 . . . . 63.25 110.946 -174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.4 m-20 -92.5 123.37 35.76 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.522 -1.288 . . . . 73.44 107.522 177.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -47.17 -56.66 6.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.445 1.098 . . . . 74.55 112.159 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 93.4 m-85 -68.99 -38.06 79.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.914 -1.039 . . . . 72.24 112.122 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.5 tp-100 -68.53 -30.85 69.75 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.21 0.604 . . . . 74.21 111.195 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -76.01 -13.65 60.23 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.446 0.698 . . . . 65.5 111.316 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.68 24.34 4.37 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 116.505 -0.316 . . . . 41.52 112.35 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -93.17 128.8 9.6 Favored Glycine 0 C--N 1.348 1.215 0 N-CA-C 110.428 -1.069 . . . . 61.32 110.428 171.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' HB2' ' H ' ' A' ' 61' ' ' LEU . 4.6 m-20 -85.56 170.83 12.23 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.17 -0.678 . . . . 52.0 109.17 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 p -65.02 -34.97 79.71 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.629 -0.714 . . . . 62.22 110.041 169.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -73.86 -37.76 64.66 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.355 1.062 . . . . 73.34 110.122 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 40' ' ' LEU . 3.6 tt -66.77 -35.56 80.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 108.75 -0.833 . . . . 75.35 108.75 176.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.59 98.76 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.803 0.841 . . . . 72.13 111.397 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.415 ' HA ' HD21 ' A' ' 78' ' ' LEU . 42.8 m -60.26 -29.89 69.09 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.339 1.056 . . . . 61.44 111.401 178.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -84.74 -39.21 18.75 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.145 0.578 . . . . 75.34 111.034 177.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.66 -29.82 68.32 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.39 1.076 . . . . 72.34 110.786 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.4 p -56.04 -45.86 79.06 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 123.771 0.669 . . . . 73.01 110.786 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.51 84.96 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 115.162 -0.926 . . . . 60.41 114.367 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 36' ' ' LEU . 16.1 mp0 -65.98 -24.38 66.77 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.8 0.44 . . . . 65.31 111.875 174.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.13 -30.97 22.1 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.883 0.473 . . . . 74.44 110.964 173.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -62.1 -41.63 98.39 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 120.964 0.411 . . . . 74.05 111.145 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.59 -24.39 61.89 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.315 -0.857 . . . . 73.24 111.511 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.84 -3.98 58.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.571 0.748 . . . . 32.53 111.787 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.97 28.47 56.45 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.558 -0.292 . . . . 61.24 113.371 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -121.27 133.16 55.14 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.567 1.147 . . . . 71.23 109.091 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.33 150.01 35.24 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.814 -0.81 . . . . 64.5 108.814 174.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.85 122.08 6.13 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.721 0.409 . . . . 75.3 111.783 -168.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -115.84 162.24 17.61 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.85 0.86 . . . . 65.53 110.52 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 63' ' ' THR . 88.6 mt -66.24 -32.14 73.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.225 -0.898 . . . . 45.24 110.766 174.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.8 m -57.92 -35.6 71.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.197 0.999 . . . . 63.51 111.847 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -68.75 -44.4 73.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.226 0.611 . . . . 73.44 111.162 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.8 -35.98 75.31 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 122.904 0.482 . . . . 74.15 111.523 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -74.75 -38.96 62.09 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.666 0.786 . . . . 71.45 110.794 -172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -87.76 -30.96 19.89 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 115.164 -0.925 . . . . 71.43 110.476 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 38.6 m-70 -120.29 87.44 40.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 N-CA-C 108.473 -0.936 . . . . 72.2 108.473 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -72.55 -44.23 0.78 Allowed 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.852 2.368 . . . . 72.15 112.373 -175.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -53.99 144.29 19.54 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.803 0.69 . . . . 74.33 111.043 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' A' ' 34' ' ' ALA . 6.9 tt -60.33 -43.56 96.29 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.19 -0.914 . . . . 71.12 110.593 178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.27 -36.12 68.92 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.492 0.495 . . . . 72.31 111.484 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.508 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 34.6 m-20 -64.36 -41.68 96.61 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.94 0.4 . . . . 74.44 110.779 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.483 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 34.3 t80 -67.88 -41.29 83.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.477 0.711 . . . . 71.35 110.18 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.47 -31.43 72.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.947 0.499 . . . . 73.13 111.098 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.28 -13.65 59.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.505 0.722 . . . . 44.44 112.623 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.2 t -106.0 -5.16 19.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.792 0.437 . . . . 63.43 111.53 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 58.2 mt -80.32 132.39 35.8 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 120.868 0.366 . . . . 72.11 111.793 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -108.08 167.92 9.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.76 1.224 . . . . 74.4 108.666 171.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.91 164.15 23.76 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.092 0.557 . . . . 73.11 109.634 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m -85.9 144.01 27.9 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.434 0.693 . . . . 64.33 110.413 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.28 116.07 4.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 109.006 -0.739 . . . . 74.25 109.006 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -63.42 124.46 84.45 Favored Pre-proline 0 CA--C 1.553 1.094 0 C-N-CA 123.225 0.61 . . . . 65.52 112.273 -170.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.74 -16.0 11.81 Favored 'Trans proline' 0 C--N 1.374 1.902 0 C-N-CA 122.217 1.945 . . . . 64.13 112.176 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.4 p -89.79 163.85 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.82 0.848 . . . . 63.41 109.394 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -73.35 83.24 1.42 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.016 0.526 . . . . 64.02 110.188 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' HD3' ' A' ' 104' ' ' PRO . 6.8 tp60 -153.4 47.32 0.37 Allowed Pre-proline 0 CA--C 1.559 1.31 0 C-N-CA 123.646 0.778 . . . . 71.11 109.468 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 103' ' ' GLN . 6.0 Cg_endo -85.29 84.73 1.29 Allowed 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 122.698 2.265 . . . . 74.21 111.215 -172.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -82.37 64.7 7.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.473 1.13 . . . . 74.34 109.772 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.5 m -123.97 137.24 57.66 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-N 113.432 -1.713 . . . . 61.12 107.391 174.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -166.51 93.68 0.5 Allowed 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.956 -1.127 . . . . 75.43 107.956 177.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -122.87 80.99 49.76 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 123.411 0.684 . . . . 75.31 110.424 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.28 76.55 3.87 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.73 2.287 . . . . 74.14 110.192 171.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.95 -34.03 72.71 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 115.295 -0.866 . . . . 73.22 111.192 -176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.253 1.258 0 N-CA-C 108.286 -1.005 . . . . 74.13 108.286 170.148 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 CA-C-O 119.458 -0.634 . . . . 55.13 112.074 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 m -62.33 -46.19 89.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.757 0.823 . . . . 74.43 110.34 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.75 132.86 48.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 106.995 -1.483 . . . . 74.22 106.995 170.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -79.66 77.09 6.29 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.198 0.599 . . . . 74.04 109.748 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -66.98 -32.66 74.05 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.782 -0.644 . . . . 71.43 109.937 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 18.8 pt20 -75.06 -14.48 60.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.898 0.879 . . . . 73.44 112.237 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 -17.5 50.04 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 118.194 0.452 . . . . 63.03 110.986 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.35 -11.13 60.56 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.82 0.848 . . . . 72.24 112.584 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -74.01 92.39 2.13 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-O 122.679 1.228 . . . . 71.24 108.966 173.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 18' ' ' ASN . 3.9 mmp_? -93.69 162.85 13.77 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.32 -1.309 . . . . 50.22 109.84 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -70.22 170.85 10.81 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.571 0.748 . . . . 75.23 111.809 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.505 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 19.1 p80 -123.25 110.62 15.44 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.259 0.624 . . . . 71.1 109.667 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -151.2 148.64 22.95 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.942 1.297 . . . . 53.01 107.951 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -58.2 79.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.51 2.14 . . . . 63.22 111.02 164.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -178.77 161.03 1.2 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.172 1.389 . . . . 65.32 108.507 -167.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.89 59.91 2.73 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.095 0.958 . . . . 52.31 111.108 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.7 -41.91 82.85 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.936 0.894 . . . . 75.54 109.719 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 8.6 t30 -157.74 139.59 10.06 Favored Pre-proline 0 C--O 1.239 0.551 0 CA-C-N 113.398 -1.728 . . . . 75.23 107.319 175.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -55.83 77.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.558 1.724 0 C-N-CA 123.228 2.618 . . . . 60.43 112.845 168.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.55 -48.87 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.38 1.472 . . . . 32.24 109.322 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 12' ' ' HIS . 12.1 tp10 -83.03 123.16 29.2 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.899 -0.592 . . . . 71.04 110.821 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 61.45 9.92 2.91 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.874 1.27 . . . . 71.35 112.668 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 47' ' ' THR . 21.2 t70 -103.68 18.11 22.62 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.857 1.263 . . . . 72.01 110.247 -166.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.45 127.91 93.36 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 124.508 1.123 . . . . 70.13 110.754 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.683 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 92.9 Cg_endo -81.27 130.49 7.2 Favored 'Trans proline' 0 C--N 1.383 2.35 0 C-N-CA 122.836 2.358 . . . . 73.12 111.651 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -135.55 98.43 3.93 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.198 0.599 . . . . 74.32 110.194 -166.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.94 173.22 44.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.303 -1.119 . . . . 51.41 110.303 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -57.72 -43.77 85.49 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.62 0.768 . . . . 52.42 111.906 -176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.5 mm -84.88 -33.29 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.764 -0.653 . . . . 73.14 110.17 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 25' ' ' PRO . 2.9 mp0 -69.26 -36.12 76.8 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.481 0.712 . . . . 75.3 111.7 -172.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -70.82 -35.86 72.68 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.429 0.456 . . . . 73.43 110.397 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.489 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tp-100 -62.55 -60.8 3.02 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.273 0.983 . . . . 73.41 108.881 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.44 -34.08 59.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 124.435 1.094 . . . . 63.4 111.248 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.532 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -62.66 -51.37 67.49 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.522 0.329 . . . . 71.3 110.787 176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -60.69 -46.46 90.28 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.837 0.71 . . . . 65.11 111.14 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 68' ' ' GLN . 79.4 mt -62.78 -47.18 84.58 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.88 0.872 . . . . 71.02 111.112 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.613 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.4 m0 -63.15 -41.63 99.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.952 0.501 . . . . 72.34 111.22 178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.761 ' HG3' HG22 ' A' ' 46' ' ' VAL . 70.7 mt-30 -60.28 -37.62 81.05 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 122.852 0.461 . . . . 60.33 112.097 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 13.3 mm100 -74.08 -50.34 20.02 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.064 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -72.46 -42.19 65.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.787 0.835 . . . . 74.24 112.019 -173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG22 ' A' ' 43' ' ' THR . 78.2 mt -74.17 -15.67 61.01 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 122.774 0.43 . . . . 74.03 110.995 175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m 65.48 36.2 6.84 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.521 1.129 . . . . 50.24 110.467 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 41' ' ' LEU . 5.1 t -108.65 157.26 18.68 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.677 -1.147 . . . . 74.42 110.291 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.62 -29.11 62.02 Favored Glycine 0 C--N 1.347 1.156 0 CA-C-N 115.59 -0.732 . . . . 64.52 112.854 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -155.1 145.24 21.81 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 121.402 0.62 . . . . 62.2 111.15 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.761 HG22 ' HG3' ' A' ' 38' ' ' GLN . 6.3 m -134.48 134.61 54.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 N-CA-C 106.967 -1.494 . . . . 61.44 106.967 164.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.683 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 63.6 p -113.62 175.44 5.46 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.033 0.533 . . . . 75.51 111.408 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.512 ' HG3' ' HG2' ' A' ' 49' ' ' GLU . 38.9 ptt180 -58.04 -33.55 69.12 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 124.161 0.984 . . . . 75.14 112.617 -169.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 33.8 mm-40 -104.11 -0.78 28.23 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.492 0.717 . . . . 70.13 111.926 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -64.85 136.46 56.89 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.005 0.522 . . . . 63.25 109.943 171.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 7.1 m-20 -92.28 138.57 31.41 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.804 -0.813 . . . . 73.44 108.804 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HE1' ' HG ' ' A' ' 65' ' ' LEU . 74.7 t80 -55.49 -52.67 62.88 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 124.728 1.267 . . . . 74.55 110.381 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -69.89 -41.22 75.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 114.358 -1.292 . . . . 72.24 111.812 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 25.5 tt0 -63.89 -31.64 72.89 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.04 0.536 . . . . 74.21 111.012 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' HG12 ' A' ' 46' ' ' VAL . 7.8 tp-100 -86.74 21.93 2.08 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 123.709 0.803 . . . . 65.5 111.082 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.25 15.71 60.19 Favored Glycine 0 C--N 1.348 1.246 0 CA-C-N 116.19 -0.459 . . . . 41.52 113.415 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 61' ' ' LEU . . . -85.6 149.66 23.72 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 116.837 0.318 . . . . 61.32 112.615 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.31 174.9 7.02 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.779 0.832 . . . . 52.0 109.039 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.1 p -68.69 -34.04 74.98 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.339 0.655 . . . . 62.22 109.758 170.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.45 -46.16 84.34 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.156 1.383 . . . . 73.34 109.743 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.9 tt -67.78 -37.57 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.271 -0.877 . . . . 75.35 109.313 176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -64.1 -37.46 87.51 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.111 0.965 . . . . 72.13 111.714 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.7 m -60.89 -31.6 71.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.704 0.802 . . . . 61.44 110.926 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -77.48 -47.55 19.33 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.492 0.717 . . . . 75.34 110.512 173.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' HE1' ' A' ' 52' ' ' PHE . 3.0 tm? -56.38 -36.56 69.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.148 0.979 . . . . 72.34 111.352 -173.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 62' ' ' ALA . 69.4 p -55.16 -39.63 69.71 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.201 0.6 . . . . 73.01 111.141 177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.6 -35.37 89.18 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 114.884 -1.053 . . . . 60.41 113.809 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' HB3' HD22 ' A' ' 36' ' ' LEU . 18.1 mp0 -66.38 -22.77 66.25 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 117.148 0.474 . . . . 65.31 111.71 175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.42 -36.5 24.21 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.065 -0.346 . . . . 74.44 110.065 171.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -61.81 -37.76 85.6 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.343 0.657 . . . . 74.05 111.524 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -68.04 -32.91 73.6 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.135 0.574 . . . . 73.24 110.593 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.74 -10.12 59.66 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.83 0.852 . . . . 32.53 111.279 176.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.28 33.39 17.38 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 123.424 0.535 . . . . 61.24 112.558 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -122.78 126.13 46.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.872 0.869 . . . . 71.23 109.68 173.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.8 108.9 6.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 109.084 -0.71 . . . . 64.5 109.084 172.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -108.49 141.99 39.55 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.625 -0.88 . . . . 75.3 108.625 170.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -129.89 163.02 27.26 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.403 1.081 . . . . 65.53 109.199 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.5 mt -59.71 -32.65 70.73 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 115.186 -0.916 . . . . 45.24 110.864 173.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -65.12 -35.17 80.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.526 0.73 . . . . 63.51 111.676 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -70.4 -43.33 70.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.931 0.493 . . . . 73.44 110.235 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 ' HB1' ' A' ' 62' ' ' ALA . 20.7 mt -71.57 -32.44 68.08 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.637 0.775 . . . . 74.15 112.644 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -80.96 -46.01 15.78 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.589 0.756 . . . . 71.45 109.513 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -78.38 -30.47 47.94 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.249 0.619 . . . . 71.43 111.003 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -122.46 82.78 46.96 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 108.406 -0.961 . . . . 72.2 108.406 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -78.25 -22.77 9.44 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.056 1.838 . . . . 72.15 111.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mpp_? -67.76 144.77 55.25 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.048 0.539 . . . . 74.33 109.952 174.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.1 tt -64.47 -54.34 34.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.888 0.875 . . . . 71.12 110.935 -174.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.54 -32.77 74.32 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.916 0.76 . . . . 72.31 111.259 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -70.93 -33.74 70.81 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.647 0.779 . . . . 74.44 110.388 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HA ' HG22 ' A' ' 93' ' ' THR . 51.7 t80 -74.94 -38.04 61.85 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.409 0.684 . . . . 71.35 110.297 174.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.75 -29.1 68.99 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.641 0.776 . . . . 73.13 110.884 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.27 -33.87 55.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.923 0.889 . . . . 44.44 111.903 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.504 HG22 ' HA ' ' A' ' 90' ' ' PHE . 14.6 t -87.49 -4.54 58.99 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.812 0.445 . . . . 63.43 112.102 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 68.5 mt -66.92 128.79 37.65 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.754 0.422 . . . . 72.11 111.227 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -99.72 134.3 42.82 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.8 0.84 . . . . 74.4 109.009 173.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.18 114.06 8.85 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.5 -0.555 . . . . 73.11 109.5 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -65.77 149.73 49.67 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.509 0.724 . . . . 64.33 109.951 174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -70.94 160.34 33.05 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 109.424 -0.584 . . . . 74.25 109.424 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 101' ' ' VAL . 24.9 t -63.35 124.75 85.36 Favored Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.628 0.771 . . . . 65.52 109.479 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.96 2.71 5.26 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 122.551 2.167 . . . . 64.13 113.253 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.551 ' H ' HG12 ' A' ' 99' ' ' VAL . 22.0 m -136.12 -177.51 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.302 1.041 . . . . 63.41 111.131 -170.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 62.55 -88.56 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.637 1.575 . . . . 64.02 112.141 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -158.16 81.61 2.92 Favored Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 109.028 -0.73 . . . . 71.11 109.028 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -92.45 24.04 0.52 Allowed 'Trans proline' 0 C--N 1.371 1.761 0 C-N-CA 123.256 2.637 . . . . 74.21 112.75 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -117.59 -171.69 2.09 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 123.869 0.868 . . . . 74.34 109.208 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t 68.5 14.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 125.43 1.492 . . . . 61.12 111.156 175.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -118.44 155.26 31.08 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.018 0.927 . . . . 75.43 110.205 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 109' ' ' PRO . 43.1 p -65.42 124.42 87.09 Favored Pre-proline 0 CA--C 1.56 1.333 0 C-N-CA 123.226 0.61 . . . . 75.31 110.479 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 108' ' ' SER . 29.2 Cg_exo -62.36 103.67 0.32 Allowed 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 122.99 2.46 . . . . 74.14 112.019 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -75.09 131.44 40.54 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.259 1.024 . . . . 73.22 111.208 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--O 1.249 1.057 0 N-CA-C 108.481 -0.933 . . . . 74.13 108.481 175.502 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 111.853 -0.499 . . . . 55.13 111.853 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.9 p -82.02 152.26 26.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 122.807 0.443 . . . . 74.43 110.429 174.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.85 167.84 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 122.889 0.476 . . . . 74.22 109.896 172.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.59 108.83 13.43 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.54 -0.541 . . . . 74.04 109.54 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -85.65 -27.57 25.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.413 0.685 . . . . 71.43 110.353 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -53.36 -50.49 64.96 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.158 1.383 . . . . 73.44 113.796 -167.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.37 70.78 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.166 0.587 . . . . 63.03 111.659 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 58.88 83.92 0.12 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.157 1.383 . . . . 72.24 109.706 177.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -98.96 62.74 1.32 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.173 -0.921 . . . . 71.24 111.006 -172.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -140.8 103.99 4.61 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 108.363 -0.977 . . . . 50.22 108.363 170.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -148.92 168.33 23.34 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.83 1.252 . . . . 75.23 108.404 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.0 m170 62.01 -154.85 0.35 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 108.883 -0.784 . . . . 71.1 108.883 -173.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 t -108.79 92.37 10.38 Favored Pre-proline 0 N--CA 1.48 1.034 0 N-CA-C 108.688 -0.856 . . . . 53.01 108.688 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.04 -8.43 23.6 Favored 'Trans proline' 0 C--N 1.391 2.783 0 C-N-CA 122.595 2.197 . . . . 63.22 113.002 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -64.88 -65.63 0.65 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.589 0.756 . . . . 65.32 109.974 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.42 -159.61 0.59 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.202 0.601 . . . . 52.31 110.371 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.48 -79.09 0.16 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.446 0.698 . . . . 75.54 110.79 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -132.77 149.56 73.31 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.489 0.716 . . . . 75.23 109.913 -171.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 24.8 Cg_exo -65.32 138.83 57.21 Favored 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.361 2.041 . . . . 60.43 110.955 165.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 71.22 21.06 4.86 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.615 1.166 . . . . 32.24 112.117 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -85.1 -67.03 0.83 Allowed 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.651 0.78 . . . . 71.04 110.288 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -157.22 22.25 0.3 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 124.039 0.935 . . . . 71.35 109.656 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.646 ' HB2' ' HB3' ' A' ' 48' ' ' ARG . 9.4 p-10 -99.62 21.94 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.113 1.365 . . . . 72.01 111.859 -164.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.6 mp -61.72 144.55 92.96 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 123.146 0.578 . . . . 70.13 110.473 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.95 117.64 4.41 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.305 2.003 . . . . 73.12 111.22 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -131.38 84.57 2.19 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.743 -0.836 . . . . 74.32 108.743 -172.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.8 155.31 7.65 Favored Glycine 0 N--CA 1.462 0.376 0 N-CA-C 109.61 -1.396 . . . . 51.41 109.61 -175.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.88 -45.47 90.11 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.389 0.676 . . . . 52.42 111.321 -176.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.2 mm -74.01 -42.61 52.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 115.509 -0.768 . . . . 73.14 110.05 -176.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.56 -36.09 77.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.974 0.51 . . . . 75.3 111.324 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.09 -45.15 86.43 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.86 1.264 . . . . 73.43 110.147 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -65.39 -42.9 92.16 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.875 -1.057 . . . . 73.41 111.027 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG22 HD21 ' A' ' 69' ' ' LEU . 97.1 t -76.12 -31.44 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 124.215 1.006 . . . . 63.4 110.366 -177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -50.35 71.86 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.125 0.57 . . . . 71.3 111.618 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.45 69.03 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 115.916 -0.583 . . . . 65.11 111.816 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.9 mt -69.85 -54.24 14.44 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 115.759 -0.655 . . . . 71.02 110.281 175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 15.9 m0 -58.66 -33.22 69.86 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 123.225 0.61 . . . . 72.34 112.201 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.591 ' HG3' HG22 ' A' ' 46' ' ' VAL . 78.5 mt-30 -69.32 -31.32 69.7 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.7 0.629 . . . . 60.33 112.7 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -93.05 -50.23 5.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.041 0.536 . . . . 74.12 111.133 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.84 -35.82 69.28 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.376 1.07 . . . . 74.24 112.511 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.3 mt -99.94 -14.63 18.63 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.801 0.441 . . . . 74.03 111.39 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 m 62.79 54.04 2.37 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.203 1.001 . . . . 50.24 111.024 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 29.9 p -101.43 160.56 14.32 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.125 -0.943 . . . . 74.42 109.759 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.87 -56.19 13.79 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 111.315 -0.714 . . . . 64.52 111.315 171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -151.4 145.53 25.32 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.684 0.794 . . . . 62.2 109.402 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG22 ' HG3' ' A' ' 38' ' ' GLN . 20.7 m -117.27 146.63 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 123.714 0.806 . . . . 61.44 109.746 175.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 24' ' ' LEU . 25.0 p -128.53 -169.08 2.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.468 1.507 . . . . 75.51 109.274 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.646 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . 33.8 ttt180 -71.62 -49.53 39.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.734 0.413 . . . . 75.14 110.697 -173.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 14.9 mm-40 -76.07 -2.54 31.28 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.315 0.384 . . . . 70.13 111.092 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.416 HG21 HG12 ' A' ' 46' ' ' VAL . 96.5 m -71.64 123.8 23.31 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.16 -0.682 . . . . 63.25 109.16 166.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 m-20 -106.41 130.98 54.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.873 0.869 . . . . 73.44 109.174 -177.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -51.8 -43.32 63.03 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 124.144 0.903 . . . . 74.55 111.157 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 92.4 m-85 -76.96 -33.25 57.67 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.549 -1.205 . . . . 72.24 112.429 -175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -76.91 -11.95 59.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.797 0.439 . . . . 74.21 110.792 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HB2' HD13 ' A' ' 41' ' ' LEU . 28.6 mm-40 -101.06 21.72 13.39 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.641 0.776 . . . . 65.5 111.337 177.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.9 -14.17 64.04 Favored Glycine 0 C--N 1.349 1.273 0 CA-C-O 119.748 -0.473 . . . . 41.52 114.114 172.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -72.4 141.6 31.34 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 111.84 -0.504 . . . . 61.32 111.84 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -114.16 -170.06 1.64 Allowed 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 117.373 0.586 . . . . 52.0 109.524 -176.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -66.01 -31.55 72.52 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.016 0.926 . . . . 62.22 112.756 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -75.99 -45.24 35.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.319 0.648 . . . . 73.34 109.87 -178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.63 -31.64 72.88 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.429 0.692 . . . . 75.35 109.203 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.601 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -68.6 -36.23 78.42 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.164 0.986 . . . . 72.13 111.805 177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.0 m -69.3 -26.21 64.61 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.128 0.571 . . . . 61.44 111.034 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -74.21 -36.41 63.96 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.997 -0.547 . . . . 75.34 110.338 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.22 -46.82 72.68 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.208 1.003 . . . . 72.34 109.933 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 76.8 p -62.05 -38.46 88.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.266 -0.879 . . . . 73.01 109.81 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -56.66 -38.5 82.29 Favored Glycine 0 C--N 1.348 1.202 0 O-C-N 124.553 1.158 . . . . 60.41 113.622 173.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -60.25 -48.96 79.5 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.698 0.761 . . . . 65.31 109.58 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 HG22 ' A' ' 33' ' ' VAL . 59.1 mt -62.89 -33.87 76.21 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.266 -1.334 . . . . 74.44 111.631 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -62.31 -38.69 90.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.244 0.617 . . . . 74.05 111.328 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 41.5 mt-30 -68.93 -32.29 71.79 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.54 -0.755 . . . . 73.24 110.106 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.15 -11.97 60.46 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.457 0.703 . . . . 32.53 112.018 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.05 30.62 22.49 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.218 0.324 . . . . 61.24 112.347 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -121.22 127.8 51.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.745 1.218 . . . . 71.23 109.222 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.54 135.5 35.58 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.613 -0.884 . . . . 64.5 108.613 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.88 140.35 20.59 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.016 0.926 . . . . 75.3 109.617 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -134.23 160.41 37.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.419 0.687 . . . . 65.53 110.622 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.54 -31.17 65.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.294 1.037 . . . . 45.24 110.127 172.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.4 m -47.18 -51.49 18.2 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.922 1.289 . . . . 63.51 112.258 176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -86.02 -17.7 34.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.442 0.697 . . . . 73.44 112.311 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 62' ' ' ALA . 8.0 mt -73.13 -41.04 64.4 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.029 0.377 . . . . 74.15 110.717 174.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -79.6 -35.45 39.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.089 -0.505 . . . . 71.45 109.979 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -75.44 -31.34 60.29 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.577 0.751 . . . . 71.43 111.07 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' ND1' HG21 ' A' ' 93' ' ' THR . 13.4 m80 -130.17 80.83 70.03 Favored Pre-proline 0 N--CA 1.485 1.279 0 N-CA-C 108.076 -1.083 . . . . 72.2 108.076 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.33 -26.26 25.06 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.852 2.368 . . . . 72.15 112.075 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -61.49 133.87 56.22 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.441 1.096 . . . . 74.33 110.107 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 tt -58.4 -58.49 8.29 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.118 0.967 . . . . 71.12 111.871 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -69.59 -23.05 63.48 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.313 0.486 . . . . 72.31 112.313 -173.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.38 -43.52 60.42 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.851 0.461 . . . . 74.44 110.513 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.468 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 51.9 t80 -66.09 -42.18 89.64 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.687 -0.688 . . . . 71.35 110.278 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.17 -33.51 74.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.483 0.713 . . . . 73.13 110.771 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.25 -38.9 71.89 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.978 -0.555 . . . . 44.44 111.213 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.414 HG21 ' ND1' ' A' ' 84' ' ' HIS . 1.5 t -79.28 -9.64 59.63 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.313 -0.403 . . . . 63.43 111.345 -176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 77.7 mt -64.89 147.93 52.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.072 0.463 . . . . 72.11 111.33 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -142.32 144.93 33.45 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 108.366 -0.975 . . . . 74.4 108.366 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.29 148.02 52.46 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.62 0.724 . . . . 73.11 111.623 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 m -91.08 154.2 19.56 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.301 -1.318 . . . . 64.33 108.518 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.3 116.39 3.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 108.697 -0.853 . . . . 74.25 108.697 169.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG11 ' HA ' ' A' ' 103' ' ' GLN . 95.2 t -63.37 108.96 2.05 Favored Pre-proline 0 CA--C 1.556 1.18 0 O-C-N 124.279 0.987 . . . . 65.52 110.372 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -70.08 -67.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 123.075 2.516 . . . . 64.13 112.344 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.0 m -135.34 -34.95 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 123.571 0.748 . . . . 63.41 111.444 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.89 83.46 5.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.887 0.475 . . . . 64.02 109.9 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' HG11 ' A' ' 99' ' ' VAL . 43.1 mt-30 -80.29 119.29 76.01 Favored Pre-proline 0 N--CA 1.472 0.629 0 CA-C-N 115.33 -0.85 . . . . 71.11 110.036 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.57 84.12 0.49 Allowed 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 121.842 1.695 . . . . 74.21 109.716 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -67.61 89.08 0.24 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 114.65 -1.159 . . . . 74.34 110.565 -173.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.4 p -89.65 146.73 5.83 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 107.364 -1.347 . . . . 61.12 107.364 166.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -72.83 80.51 1.15 Allowed 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 121.7 0.762 . . . . 75.43 110.578 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.1 m -129.9 112.21 17.34 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 125.111 1.364 . . . . 75.31 107.801 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.69 94.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.757 2.971 . . . . 74.14 114.275 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.57 115.67 25.58 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.726 -1.213 . . . . 73.22 107.726 172.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 124.842 1.257 . . . . 74.13 108.941 -169.303 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.974 0 N-CA-C 113.403 0.121 . . . . 55.13 113.403 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -94.03 -172.78 2.93 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.327 0.651 . . . . 74.43 110.129 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 mm 66.08 59.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-O 123.375 1.56 . . . . 74.22 108.342 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.52 111.25 15.61 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 112.972 -1.922 . . . . 74.04 109.352 -175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -64.18 -22.47 66.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.108 0.563 . . . . 71.43 111.086 177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.75 -44.04 97.23 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.78 0.832 . . . . 73.44 109.407 169.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.22 -23.19 65.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.58 0.752 . . . . 63.03 111.755 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.87 97.42 5.98 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 109.42 -0.585 . . . . 72.24 109.42 171.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -97.54 37.67 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.455 -0.943 . . . . 71.24 108.455 170.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -56.22 -49.16 74.9 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.593 1.157 . . . . 50.22 111.838 -165.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? 68.77 158.97 0.16 Allowed 'General case' 0 CA--C 1.558 1.267 0 O-C-N 124.67 1.231 . . . . 75.23 112.603 169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 71.89 -7.89 1.2 Allowed 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.938 1.295 . . . . 71.1 113.041 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m 51.46 79.66 0.33 Allowed Pre-proline 0 CA--C 1.562 1.423 0 C-N-CA 125.786 1.634 . . . . 53.01 113.017 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 -171.97 0.84 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.529 2.152 . . . . 63.22 111.959 162.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.5 -28.93 52.28 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.883 -0.599 . . . . 65.32 110.199 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.02 -8.81 58.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.094 0.958 . . . . 52.31 111.814 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -78.58 -177.75 5.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.877 0.871 . . . . 75.54 109.547 173.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -56.51 122.33 49.59 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.303 0.641 . . . . 75.23 109.847 172.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.65 107.72 0.27 Allowed 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.732 2.288 . . . . 60.43 112.95 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' O ' HG21 ' A' ' 47' ' ' THR . . . -150.32 -49.26 0.13 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.768 1.227 . . . . 32.24 107.878 -178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 134.8 41.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 107.91 -1.144 . . . . 71.04 107.91 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.85 13.03 4.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.515 1.526 . . . . 71.35 111.943 -174.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.45 25.83 11.28 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.696 0.798 . . . . 72.01 109.254 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.89 137.98 87.69 Favored Pre-proline 0 CA--C 1.553 1.087 0 N-CA-C 109.837 -0.431 . . . . 70.13 109.837 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 25.5 Cg_exo -63.99 124.36 13.4 Favored 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.394 2.73 . . . . 73.12 112.678 -171.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.1 122.34 37.59 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.854 0.861 . . . . 74.32 109.419 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.2 158.8 8.42 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.935 -1.266 . . . . 51.41 109.935 -173.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -64.14 -43.35 95.48 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 117.493 0.646 . . . . 52.42 111.284 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.35 -36.11 17.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 CA-C-N 115.749 -0.659 . . . . 73.14 110.528 -177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -64.74 -42.03 95.48 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.104 0.562 . . . . 75.3 110.267 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.57 -36.37 78.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.677 0.791 . . . . 73.43 111.057 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.73 -56.52 20.93 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.745 0.818 . . . . 73.41 110.262 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.98 -36.36 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.147 -0.933 . . . . 63.4 110.696 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.601 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.01 -45.44 92.35 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.44 0.696 . . . . 71.3 112.19 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -63.03 -46.88 85.46 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.901 0.751 . . . . 65.11 110.534 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.6 -35.71 81.63 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.428 -0.806 . . . . 71.02 111.397 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -68.03 -42.14 81.06 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.216 0.206 . . . . 72.34 110.487 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.661 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.0 mt-30 -68.0 -28.91 67.83 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 111.935 0.346 . . . . 60.33 111.935 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 16.2 mm-40 -77.57 -56.8 4.23 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.94 0.496 . . . . 74.12 110.593 176.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.4 mm? -67.88 -53.65 24.99 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.876 0.87 . . . . 74.24 112.279 -174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.2 mt -70.61 -16.72 62.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.46 0.304 . . . . 74.03 110.79 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.2 m 61.72 49.54 4.87 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.622 1.169 . . . . 50.24 110.455 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 70.5 p -100.05 155.22 17.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.769 -1.105 . . . . 74.42 110.496 -175.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.34 -40.58 69.44 Favored Glycine 0 C--N 1.345 1.047 0 O-C-N 123.583 0.552 . . . . 64.52 112.144 174.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -159.96 130.64 5.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.36 0.664 . . . . 62.2 110.395 178.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG3' ' A' ' 38' ' ' GLN . 21.6 m -116.0 146.55 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 109.165 -0.679 . . . . 61.44 109.165 167.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.539 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 76.9 p -112.53 171.22 7.65 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.849 0.86 . . . . 75.51 109.994 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.692 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 8.3 ptm180 -62.96 -21.48 66.12 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.29 0.478 . . . . 75.14 112.29 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HG2' ' HG3' ' A' ' 48' ' ' ARG . 6.3 mm-40 -100.56 -4.65 28.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.559 0.744 . . . . 70.13 111.772 -177.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -69.79 131.04 43.9 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 108.483 -0.932 . . . . 63.25 108.483 168.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.56 142.24 28.12 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 108.872 -0.788 . . . . 73.44 108.872 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -59.12 -52.95 63.51 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.797 0.685 . . . . 74.55 111.187 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -75.95 -30.72 58.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.954 -1.021 . . . . 72.24 111.509 -173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -71.79 -33.98 69.01 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.221 0.608 . . . . 74.21 109.714 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.18 -18.7 65.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.548 0.739 . . . . 65.5 111.136 176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.26 -11.6 9.17 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-O 119.595 -0.558 . . . . 41.52 112.471 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.77 136.32 51.26 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 123.153 0.406 . . . . 61.32 113.563 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -91.64 172.18 8.67 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.691 0.796 . . . . 52.0 110.484 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 p -69.33 -32.2 71.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.907 0.883 . . . . 62.22 110.549 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -67.37 -49.17 65.1 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.581 1.152 . . . . 73.34 109.499 174.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 40' ' ' LEU . 1.8 tt -63.47 -32.73 74.25 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.037 -0.983 . . . . 75.35 109.111 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.76 -39.9 84.13 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.027 0.931 . . . . 72.13 111.506 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.426 ' HA ' HD21 ' A' ' 78' ' ' LEU . 39.8 m -60.63 -40.54 92.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.201 0.6 . . . . 61.44 110.344 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.11 -44.7 79.28 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.371 -0.831 . . . . 75.34 110.751 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.53 -45.95 87.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.17 0.988 . . . . 72.34 110.743 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.5 p -62.68 -29.31 70.55 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.34 -0.846 . . . . 73.01 111.661 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.74 88.87 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 115.552 -0.749 . . . . 60.41 113.368 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -62.47 -28.91 70.15 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 122.907 0.483 . . . . 65.31 111.0 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.1 mt -79.08 -37.3 39.16 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.675 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -59.71 -44.79 93.56 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.298 0.639 . . . . 74.05 111.898 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -69.2 -26.86 65.04 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.689 0.618 . . . . 73.24 111.415 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.95 -5.97 55.08 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.11 0.564 . . . . 32.53 111.563 174.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.02 32.22 18.21 Favored Glycine 0 C--N 1.35 1.31 0 C-N-CA 123.574 0.607 . . . . 61.24 112.714 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -122.31 125.93 47.01 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.8 0.84 . . . . 71.23 109.067 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.45 129.07 36.7 Favored 'General case' 0 C--O 1.245 0.832 0 N-CA-C 107.705 -1.22 . . . . 64.5 107.705 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.62 120.44 11.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.348 1.059 . . . . 75.3 108.995 -173.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -116.88 160.6 20.63 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 123.689 0.796 . . . . 65.53 109.959 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 63' ' ' THR . 29.9 mt -70.64 -24.43 62.71 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 114.945 -1.025 . . . . 45.24 110.402 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -54.64 -46.23 73.9 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.214 1.006 . . . . 63.51 111.602 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' ASN . 59.9 m-20 -80.24 -13.98 58.79 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.699 0.624 . . . . 73.44 112.107 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.0 mt -77.35 -31.79 54.66 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.023 0.374 . . . . 74.15 110.487 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.95 -25.01 28.1 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.802 0.441 . . . . 71.45 110.73 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 80' ' ' ASP . 59.7 t30 -86.53 -32.26 20.82 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.756 0.822 . . . . 71.43 110.103 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -137.75 83.36 24.56 Favored Pre-proline 0 N--CA 1.475 0.801 0 N-CA-C 107.748 -1.204 . . . . 72.2 107.748 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.18 -30.05 31.84 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.173 1.915 . . . . 72.15 111.927 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.41 148.47 45.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.864 0.866 . . . . 74.33 112.229 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 7.5 tt -66.33 -52.43 47.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.269 -1.332 . . . . 71.12 111.703 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -76.09 -31.93 58.96 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.38 0.609 . . . . 72.31 110.473 -173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.95 -28.23 64.33 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 114.532 -1.213 . . . . 74.44 110.383 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -81.26 -34.66 31.93 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.43 0.692 . . . . 71.35 110.195 170.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.06 93.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.221 0.608 . . . . 73.13 111.424 -177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.62 88.76 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 122.925 0.49 . . . . 44.44 112.056 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.8 t -83.26 0.59 44.94 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 122.811 0.444 . . . . 63.43 111.836 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 87.5 mt -71.37 127.89 34.07 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.829 0.451 . . . . 72.11 110.715 172.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -104.12 139.91 38.53 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.915 0.886 . . . . 74.4 109.027 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.69 106.06 8.13 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.02 0.373 . . . . 73.11 110.336 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 m -71.53 123.55 22.68 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.896 0.879 . . . . 64.33 109.613 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.552 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 3.8 p-10 -72.19 141.44 49.05 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.632 -0.877 . . . . 74.25 108.632 173.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.7 t -88.59 131.32 42.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 108.355 -0.98 . . . . 65.52 108.355 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.83 15.41 0.18 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 123.439 2.759 . . . . 64.13 115.18 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 m -88.54 -167.22 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 123.502 0.721 . . . . 63.41 109.618 172.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -73.64 79.72 1.51 Allowed 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 108.93 -0.767 . . . . 64.02 108.93 174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.552 ' NE2' ' HB2' ' A' ' 98' ' ' ASP . 0.9 OUTLIER -109.6 134.29 20.62 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 124.483 1.113 . . . . 71.11 109.138 -175.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' A' ' 103' ' ' GLN . 1.6 Cg_exo -27.91 -47.81 0.1 Allowed 'Trans proline' 0 C--N 1.393 2.915 1 C-N-CA 126.061 4.507 . . . . 74.21 117.043 -174.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -140.02 87.0 2.12 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 108.238 -1.023 . . . . 74.34 108.238 174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.32 95.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.632 0 N-CA-C 108.444 -0.947 . . . . 61.12 108.444 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -44.96 85.36 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.757 0.823 . . . . 75.43 110.356 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.5 t 64.04 97.01 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 O-C-N 125.019 1.45 . . . . 75.31 110.885 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.54 -40.1 73.2 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.611 2.874 . . . . 74.14 114.366 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.93 -163.44 1.27 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.666 1.187 . . . . 73.22 108.932 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 118.636 -0.697 . . . . 74.13 109.208 176.443 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 CA-C-O 119.536 -0.591 . . . . 55.13 112.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.7 m -72.2 121.93 20.18 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 117.339 0.57 . . . . 74.43 110.516 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.5 115.41 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 109.055 -0.72 . . . . 74.22 109.055 173.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -74.62 101.68 4.32 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 108.343 -0.984 . . . . 74.04 108.343 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.61 -32.21 70.8 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.48 0.312 . . . . 71.43 111.562 -176.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -70.59 -18.47 62.9 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.178 0.591 . . . . 73.44 111.917 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.38 -32.93 58.14 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.453 1.101 . . . . 63.03 111.812 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.07 75.05 9.02 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 108.446 -0.946 . . . . 72.24 108.446 172.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 1.5 tmtp? -100.88 133.9 44.66 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.824 -1.176 . . . . 71.24 107.824 -178.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 2.4 ppt_? -157.24 166.41 33.23 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.932 0.893 . . . . 50.22 110.011 175.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -102.52 157.39 16.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.635 0.774 . . . . 75.23 109.734 173.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 30.2 p80 -141.83 36.4 1.6 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.796 0.838 . . . . 71.1 109.106 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 p -92.05 100.01 3.14 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.372 1.069 . . . . 53.01 110.19 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 12' ' ' HIS . 41.4 Cg_endo -89.84 -170.58 0.43 Allowed 'Trans proline' 0 C--N 1.37 1.667 0 C-N-CA 122.306 2.004 . . . . 63.22 110.904 177.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.06 78.11 4.55 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.127 -1.064 . . . . 65.32 108.127 170.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.83 164.74 12.8 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 114.432 -1.258 . . . . 52.31 110.837 -174.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -36.07 82.34 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 116.008 -0.542 . . . . 75.54 111.484 176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -178.19 124.15 0.26 Allowed Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.038 1.335 . . . . 75.23 108.327 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -51.0 100.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.258 2.638 . . . . 60.43 113.33 174.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.22 -62.99 0.09 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.418 -0.81 . . . . 32.24 110.722 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -55.9 -47.1 78.05 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 123.293 0.637 . . . . 71.04 112.158 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.21 -21.35 56.53 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.834 0.854 . . . . 71.35 111.135 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 47' ' ' THR . 3.0 m-20 -97.46 15.61 22.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.68 1.192 . . . . 72.01 110.862 -171.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 tp -55.32 132.81 69.83 Favored Pre-proline 0 CA--C 1.563 1.449 0 C-N-CA 124.239 1.016 . . . . 70.13 110.652 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 30' ' ' GLU . 38.9 Cg_exo -63.64 121.64 9.47 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.571 2.181 . . . . 73.12 111.415 176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' HB2' ' NH2' ' A' ' 48' ' ' ARG . 39.9 mt-30 -122.95 106.06 10.53 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.444 0.698 . . . . 74.32 109.277 -172.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.31 144.8 4.39 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 109.404 -1.478 . . . . 51.41 109.404 -173.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -53.43 -42.53 67.17 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.591 0.756 . . . . 52.42 111.945 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.6 mm -70.14 -48.29 62.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 123.711 0.632 . . . . 73.14 110.611 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 1.8 mp0 -65.9 -32.99 74.81 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.683 0.393 . . . . 75.3 111.211 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -73.61 -35.94 65.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.673 0.789 . . . . 73.43 109.919 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 HD11 ' A' ' 36' ' ' LEU . 55.5 tp60 -61.95 -50.44 72.1 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.776 0.831 . . . . 73.41 110.173 174.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -65.68 -39.58 85.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 115.182 -0.917 . . . . 63.4 110.749 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.59 -49.81 76.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.35 0.66 . . . . 71.3 111.085 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.18 -44.42 92.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.607 -0.724 . . . . 65.11 111.026 179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD11 HE21 ' A' ' 32' ' ' GLN . 90.3 mt -65.64 -35.51 80.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.263 0.625 . . . . 71.02 112.417 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 46' ' ' VAL . 24.9 m0 -66.89 -37.58 84.66 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 120.747 0.308 . . . . 72.34 110.37 174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.58 -18.97 61.56 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.095 0.558 . . . . 60.33 112.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 17.7 mm100 -84.87 -58.03 2.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.345 0.658 . . . . 74.12 110.472 175.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD21 ' HG3' ' A' ' 68' ' ' GLN . 4.4 mm? -66.52 -55.82 13.75 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.174 0.99 . . . . 74.24 111.987 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 43' ' ' THR . 66.9 mt -75.57 -12.36 60.2 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.663 0.385 . . . . 74.03 111.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.4 m 64.37 42.29 5.29 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.241 1.016 . . . . 50.24 110.848 177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 41' ' ' LEU . 54.8 p -98.43 155.65 17.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.463 0.705 . . . . 74.42 110.777 -172.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.84 -48.85 15.32 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 111.447 -0.661 . . . . 64.52 111.447 175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -142.08 146.53 35.54 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.582 0.753 . . . . 62.2 109.98 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 6.1 m -136.29 140.62 43.3 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 N-CA-C 107.57 -1.27 . . . . 61.44 107.57 166.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 77.4 p -126.23 178.87 5.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.3 0.64 . . . . 75.51 111.572 -171.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' NH2' ' HB2' ' A' ' 26' ' ' GLN . 91.0 mtt-85 -50.98 -50.07 58.93 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.385 1.074 . . . . 75.14 113.171 -171.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 29.9 tt0 -99.88 11.74 38.51 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.084 0.469 . . . . 70.13 111.247 -176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -72.25 128.68 36.41 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.338 -0.986 . . . . 63.25 108.338 165.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 1.8 m-20 -94.67 143.97 26.0 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.817 -0.809 . . . . 73.44 108.817 177.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.87 -46.59 88.84 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.744 0.818 . . . . 74.55 110.271 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.44 -33.74 54.71 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.704 -1.135 . . . . 72.24 111.333 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 6.1 tp-100 -70.88 -29.93 66.16 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.897 0.479 . . . . 74.21 110.786 175.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -69.47 -19.43 63.75 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.069 0.548 . . . . 65.5 110.695 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.64 0.6 13.72 Favored Glycine 0 C--N 1.345 1.036 0 CA-C-O 119.975 -0.347 . . . . 41.52 112.299 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.19 164.67 53.7 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 116.593 0.197 . . . . 61.32 112.664 178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.53 163.93 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.875 0.87 . . . . 52.0 109.013 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.567 ' HB2' HD21 ' A' ' 78' ' ' LEU . 39.1 p -57.24 -28.94 63.37 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.396 1.078 . . . . 62.22 113.294 -176.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -50.65 49.06 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.456 -0.572 . . . . 73.34 109.456 176.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.1 -29.69 70.81 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.172 0.989 . . . . 75.35 109.549 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.81 -29.22 58.61 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 124.065 0.946 . . . . 72.13 111.365 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 93.4 m -69.49 -30.09 67.88 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 121.335 0.588 . . . . 61.44 110.082 172.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -79.43 -34.73 41.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.713 -0.676 . . . . 75.34 110.597 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.48 -51.2 45.94 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.16 -0.927 . . . . 72.34 109.256 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -60.32 -32.13 70.94 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.175 0.59 . . . . 73.01 110.571 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA2' ' ND1' ' A' ' 70' ' ' HIS . . . -55.0 -40.68 74.39 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 114.666 -1.152 . . . . 60.41 113.772 170.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' HD21 ' A' ' 40' ' ' LEU . 88.3 mm-40 -66.68 -40.99 88.78 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.446 0.698 . . . . 65.31 111.398 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.32 -35.95 78.77 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.303 -0.408 . . . . 74.44 111.15 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 75' ' ' GLU . 31.1 m170 -57.35 -37.8 73.14 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.441 0.696 . . . . 74.05 111.645 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -82.62 -24.05 34.04 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.278 -0.874 . . . . 73.24 111.051 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.22 -13.63 61.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.198 0.599 . . . . 32.53 111.004 172.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.94 17.55 32.19 Favored Glycine 0 C--N 1.349 1.282 0 CA-C-N 116.578 -0.283 . . . . 61.24 112.649 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -120.16 122.38 40.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.121 0.968 . . . . 71.23 109.335 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HG3' ' HB2' ' A' ' 95' ' ' ARG . 3.4 pt-20 -77.33 106.57 9.15 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.9 -0.778 . . . . 64.5 108.9 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -109.21 122.39 47.21 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.083 -0.962 . . . . 75.3 108.565 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -96.31 159.96 14.67 Favored 'General case' 0 C--O 1.244 0.787 0 N-CA-C 108.605 -0.887 . . . . 65.53 108.605 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 59' ' ' SER . 45.7 tp -65.63 -29.25 69.8 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.586 -0.524 . . . . 45.24 109.586 174.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.0 m -68.88 -24.88 64.38 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.565 0.746 . . . . 63.51 111.685 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -69.7 -46.98 64.78 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.62 0.368 . . . . 73.44 110.458 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.56 -31.4 66.96 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.791 0.436 . . . . 74.15 111.891 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -74.1 -46.86 40.15 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 110.096 -0.335 . . . . 71.45 110.096 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.66 -31.47 61.95 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.817 0.447 . . . . 71.43 110.732 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.615 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 69.9 m-70 -127.01 81.87 69.12 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 123.551 0.74 . . . . 72.2 109.132 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -74.63 -22.11 16.03 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.728 2.285 . . . . 72.15 113.296 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.482 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 2.3 mpp_? -63.9 152.11 40.71 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.208 0.603 . . . . 74.33 110.359 173.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 34' ' ' ALA . 5.9 tt -66.97 -52.68 39.77 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.283 0.633 . . . . 71.12 110.372 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.95 -36.43 83.42 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.796 0.685 . . . . 72.31 111.432 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' ' 84' ' ' HIS . 1.5 m-20 -67.86 -45.0 75.8 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.674 0.79 . . . . 74.44 111.616 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.45 ' HA ' HG22 ' A' ' 93' ' ' THR . 36.0 t80 -65.27 -39.19 92.27 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.209 0.604 . . . . 71.35 110.157 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.61 84.74 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.843 -0.617 . . . . 73.13 110.861 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.38 -27.04 64.97 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.678 -0.692 . . . . 44.44 112.08 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 90' ' ' PHE . 10.5 t -100.56 8.88 43.2 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 122.927 0.491 . . . . 63.43 111.658 -178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -71.79 128.47 35.86 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 120.916 0.388 . . . . 72.11 110.571 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HB2' ' HG3' ' A' ' 75' ' ' GLU . 10.1 mtt180 -108.23 140.86 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 106.753 -1.573 . . . . 74.4 106.753 -177.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.82 131.43 41.52 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.005 0.82 . . . . 73.11 110.246 176.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 48.2 m -59.86 146.21 42.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.607 1.163 . . . . 64.33 111.115 175.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -61.7 124.4 20.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 122.973 0.509 . . . . 74.25 109.984 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 101' ' ' VAL . 17.3 m -89.95 134.93 30.91 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 122.986 0.514 . . . . 65.52 110.481 -177.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -78.55 2.99 7.62 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.908 2.405 . . . . 64.13 112.974 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 99' ' ' VAL . 12.1 p -89.65 150.67 3.65 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 C-N-CA 123.533 0.733 . . . . 63.41 109.644 175.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -64.51 110.11 2.19 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 109.511 -0.552 . . . . 64.02 109.511 173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.94 148.3 86.88 Favored Pre-proline 0 N--CA 1.473 0.687 0 N-CA-C 109.281 -0.636 . . . . 71.11 109.281 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HG2' HG13 ' A' ' 106' ' ' VAL . 89.9 Cg_endo -77.63 -174.84 2.38 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.207 1.938 . . . . 74.21 111.027 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -80.83 65.24 5.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.775 0.798 . . . . 74.34 110.954 174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.506 HG13 ' HG2' ' A' ' 104' ' ' PRO . 26.4 m -83.75 131.79 33.02 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 106.907 -1.516 . . . . 61.12 106.907 162.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -63.42 99.35 0.2 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 121.897 0.856 . . . . 75.43 110.055 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.1 m -79.08 128.42 76.24 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 114.98 -1.009 . . . . 75.31 109.879 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.0 -28.19 31.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 C-N-CA 123.262 2.642 . . . . 74.14 113.788 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -69.12 -50.33 49.05 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.619 0.768 . . . . 73.22 110.415 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.943 0.897 . . . . 74.13 111.212 -176.329 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 112.018 -0.433 . . . . 55.13 112.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.9 p -79.79 137.03 36.87 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.081 0.553 . . . . 74.43 109.987 173.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 pp -72.08 168.46 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.258 0.623 . . . . 74.22 111.514 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -97.18 110.53 23.06 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.017 0.927 . . . . 74.04 109.176 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.85 -16.02 59.54 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.641 0.734 . . . . 71.43 109.081 170.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -74.03 -17.99 60.9 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.485 1.114 . . . . 73.44 110.409 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 11' ' ' ARG . . . -66.84 -15.36 63.56 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 123.581 0.752 . . . . 63.03 111.989 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.77 -21.05 66.06 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.736 1.214 . . . . 72.24 111.025 176.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -98.38 152.68 19.21 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.481 0.713 . . . . 71.24 110.609 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -62.67 96.84 0.09 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.314 1.046 . . . . 50.22 111.136 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 8.0 ptm180 -125.9 -148.6 0.39 Allowed 'General case' 0 C--O 1.242 0.689 0 N-CA-C 107.832 -1.173 . . . . 75.23 107.832 177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -69.68 92.17 0.65 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.469 -0.937 . . . . 71.1 108.469 166.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.5 p -64.19 108.79 2.1 Favored Pre-proline 0 CA--C 1.56 1.359 0 C-N-CA 124.9 1.28 . . . . 53.01 111.891 -168.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -84.59 78.57 2.73 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.773 2.315 . . . . 63.22 113.632 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.52 127.12 33.01 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.825 -0.625 . . . . 65.32 110.173 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.1 -178.03 3.27 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.736 0.814 . . . . 52.31 110.798 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.87 164.67 24.28 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 109.474 -0.565 . . . . 75.54 109.474 169.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -105.78 96.14 11.93 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 109.285 -0.635 . . . . 75.23 109.285 176.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -75.26 163.5 34.66 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.248 1.965 . . . . 60.43 110.111 170.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' HA ' ' OG1' ' A' ' 47' ' ' THR . . . 63.6 27.73 14.99 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.739 0.815 . . . . 32.24 110.886 -170.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.22 -72.45 0.1 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.856 -0.611 . . . . 71.04 110.349 -173.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -10.6 59.99 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.032 0.933 . . . . 71.35 112.481 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -112.28 29.93 7.5 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.902 1.281 . . . . 72.01 109.851 -175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 47' ' ' THR . 9.4 tt -50.63 132.67 27.28 Favored Pre-proline 0 N--CA 1.488 1.431 0 C-N-CA 124.991 1.317 . . . . 70.13 109.913 177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 22.2 Cg_endo -57.68 121.05 9.35 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.756 2.304 . . . . 73.12 112.28 -174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -112.83 94.41 4.89 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.337 -0.616 . . . . 74.32 109.337 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.13 163.59 10.42 Favored Glycine 0 C--N 1.341 0.833 0 N-CA-C 111.248 -0.741 . . . . 51.41 111.248 -176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.95 -39.39 63.78 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.453 0.701 . . . . 52.42 111.548 -174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -71.16 -40.97 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.32 -0.622 . . . . 73.14 109.32 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -62.95 -35.99 81.98 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.468 0.707 . . . . 75.3 110.384 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -70.22 -39.9 74.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.327 1.051 . . . . 73.43 110.155 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -61.45 -53.06 61.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.758 0.823 . . . . 73.41 110.843 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.86 -32.27 57.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-N 115.273 -0.876 . . . . 63.4 110.616 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -63.59 -47.43 81.51 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.085 0.554 . . . . 71.3 111.794 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.39 80.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 122.939 0.496 . . . . 65.11 111.209 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.98 -41.11 62.43 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.161 -0.927 . . . . 71.02 111.54 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.49 ' HB2' HG21 ' A' ' 46' ' ' VAL . 17.3 m0 -67.83 -28.58 67.69 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.563 0.345 . . . . 72.34 110.987 176.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.651 ' HG3' HG22 ' A' ' 46' ' ' VAL . 71.6 mt-30 -71.06 -38.1 72.48 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.445 0.298 . . . . 60.33 111.462 175.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -72.17 -59.93 2.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.816 0.446 . . . . 74.12 110.701 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.1 -32.88 74.81 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.23 1.012 . . . . 74.24 113.342 -172.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD13 ' HB2' ' A' ' 55' ' ' GLN . 75.0 mt -93.36 -13.12 28.48 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 117.964 0.347 . . . . 74.03 111.453 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t 60.19 44.26 12.99 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.337 1.055 . . . . 50.24 110.519 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.9 p -99.69 152.57 19.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.209 1.004 . . . . 74.42 111.0 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.42 -27.57 67.51 Favored Glycine 0 C--N 1.351 1.367 0 CA-C-N 116.113 -0.494 . . . . 64.52 112.764 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -162.92 148.72 12.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.192 0.997 . . . . 62.2 109.404 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' HG3' ' A' ' 38' ' ' GLN . 16.9 m -135.19 143.2 37.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 124.224 1.01 . . . . 61.44 108.914 169.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.693 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 37.4 p -135.39 -171.79 2.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.895 1.678 . . . . 75.51 109.294 -173.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 35.4 ttt180 -64.26 -49.9 70.03 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.27 0.486 . . . . 75.14 111.777 -176.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.21 -19.19 63.17 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.975 0.91 . . . . 70.13 111.16 -176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.526 HG21 HG12 ' A' ' 46' ' ' VAL . 81.4 m -58.61 125.72 24.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.243 0.617 . . . . 63.25 111.206 175.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.7 m-20 -95.54 138.6 32.99 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 114.647 -1.16 . . . . 73.44 108.787 174.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' HE2' ' HB3' ' A' ' 61' ' ' LEU . 38.8 t80 -59.72 -46.14 90.01 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.15 0.58 . . . . 74.55 109.975 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -71.47 -40.5 70.23 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 114.571 -1.195 . . . . 72.24 111.94 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 10.2 tt0 -65.18 -32.35 73.99 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.435 0.694 . . . . 74.21 111.724 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB2' HD13 ' A' ' 41' ' ' LEU . 18.3 mm100 -84.07 26.26 0.76 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.727 0.811 . . . . 65.5 112.494 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.94 1.88 75.78 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-O 120.035 -0.314 . . . . 41.52 112.671 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -79.64 161.33 46.18 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 121.128 0.293 . . . . 61.32 113.475 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -130.09 166.51 20.03 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.369 0.668 . . . . 52.0 109.478 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -55.52 -38.43 69.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.882 0.873 . . . . 62.22 112.131 174.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.97 -44.89 68.52 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.175 0.99 . . . . 73.34 109.972 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -61.0 -37.04 81.11 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.951 0.9 . . . . 75.35 109.392 177.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' HG23 ' A' ' 66' ' ' THR . . . -70.39 -35.51 73.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.991 0.916 . . . . 72.13 111.409 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.7 m -67.29 -33.66 75.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.561 0.744 . . . . 61.44 110.719 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.37 -42.36 75.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.788 0.435 . . . . 75.34 110.955 175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.46 -34.4 61.42 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.455 1.502 . . . . 72.34 111.26 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 62' ' ' ALA . 38.7 p -64.62 -31.75 73.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.447 0.699 . . . . 73.01 112.298 -176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.12 91.11 Favored Glycine 0 C--N 1.345 1.056 0 O-C-N 123.917 0.761 . . . . 60.41 113.664 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -58.56 -43.76 89.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.279 0.562 . . . . 65.31 109.835 171.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -68.8 -33.3 73.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.273 -0.876 . . . . 74.44 111.455 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -62.05 -44.86 95.77 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 122.882 0.473 . . . . 74.05 110.71 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -73.76 -16.85 61.16 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.145 0.578 . . . . 73.24 111.051 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.41 0.08 57.11 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.499 0.72 . . . . 32.53 111.456 171.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.66 35.76 24.62 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-N 116.312 -0.403 . . . . 61.24 113.565 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 49.9 m-85 -123.16 137.71 54.83 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.424 1.09 . . . . 71.23 109.401 176.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -78.85 129.64 34.79 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 108.561 -0.903 . . . . 64.5 108.561 171.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -153.76 134.87 13.98 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.06 0.544 . . . . 75.3 110.032 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -133.73 162.76 31.09 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.64 1.176 . . . . 65.53 108.441 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -54.09 -36.74 63.51 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.419 0.688 . . . . 45.24 110.779 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 m -56.88 -24.65 53.39 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 124.33 1.052 . . . . 63.51 113.228 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.53 -39.55 58.17 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.863 0.865 . . . . 73.44 111.615 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.47 -29.83 52.9 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.594 0.711 . . . . 74.15 110.158 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -69.63 -34.38 73.97 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.022 -1.445 . . . . 71.45 109.451 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -93.35 -31.68 14.57 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.033 0.533 . . . . 71.43 111.504 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -125.71 87.29 56.13 Favored Pre-proline 0 N--CA 1.488 1.471 0 C-N-CA 123.72 0.808 . . . . 72.2 109.194 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.78 -25.27 20.48 Favored 'Trans proline' 0 C--N 1.371 1.744 0 C-N-CA 122.721 2.281 . . . . 72.15 112.45 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.15 134.14 56.72 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.636 0.775 . . . . 74.33 110.214 170.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.52 HD11 ' HA ' ' A' ' 34' ' ' ALA . 9.9 tt -65.22 -48.81 72.05 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.828 0.851 . . . . 71.12 111.42 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -71.44 -26.66 62.82 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 123.709 0.631 . . . . 72.31 111.933 -175.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.57 -31.55 32.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 122.953 0.501 . . . . 74.44 110.284 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 39.7 t80 -71.74 -30.95 66.17 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.95 -0.568 . . . . 71.35 109.81 170.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.36 70.89 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.47 -0.567 . . . . 73.13 109.47 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.73 74.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.565 0.746 . . . . 44.44 112.552 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.1 t -82.53 -4.92 58.36 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 112.051 0.389 . . . . 63.43 112.051 -178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 90' ' ' PHE . 75.1 mt -79.82 120.68 24.41 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.689 -0.486 . . . . 72.11 109.689 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -113.27 133.7 54.97 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 107.162 -1.421 . . . . 74.4 107.162 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.08 106.26 1.58 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.267 0.556 . . . . 73.11 111.989 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.7 m -70.06 139.16 52.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 124.868 1.267 . . . . 64.33 110.458 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.96 111.89 0.93 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.982 0.913 . . . . 74.25 109.848 174.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG22 HG12 ' A' ' 101' ' ' VAL . 7.9 p -67.94 121.48 79.93 Favored Pre-proline 0 CA--C 1.551 0.994 0 N-CA-C 108.869 -0.789 . . . . 65.52 108.869 -177.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.48 -29.66 50.3 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 123.439 2.76 . . . . 64.13 114.758 -170.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG12 HG22 ' A' ' 99' ' ' VAL . 14.3 p -64.39 -30.35 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-O 120.983 0.42 . . . . 63.41 111.329 178.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 109.62 14.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 106.756 -1.572 . . . . 64.02 106.756 172.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -56.73 107.08 0.78 Allowed Pre-proline 0 CA--C 1.555 1.151 0 C-N-CA 124.407 1.083 . . . . 71.11 112.331 -167.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -93.66 -167.74 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 123.353 2.702 . . . . 74.21 112.154 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -98.74 -27.75 13.82 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.389 0.676 . . . . 74.34 110.32 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -90.24 139.48 17.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 123.223 0.609 . . . . 61.12 109.768 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -130.43 150.18 51.77 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.466 -0.568 . . . . 75.43 109.466 174.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 m -71.87 138.22 82.54 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 122.997 0.519 . . . . 75.31 110.341 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -60.69 -23.54 76.38 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 123.25 2.634 . . . . 74.14 113.009 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.34 149.0 30.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.137 0.975 . . . . 73.22 108.803 172.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.247 0.962 0 C-N-CA 123.84 0.856 . . . . 74.13 109.478 -172.163 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.026 0 N-CA-C 112.516 -0.234 . . . . 55.13 112.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.0 m -74.42 108.34 7.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.094 0.557 . . . . 74.43 110.615 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.44 90.27 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.349 -1.352 . . . . 74.22 107.349 168.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.03 108.54 2.25 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.199 -0.909 . . . . 74.04 110.501 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -74.23 -17.37 60.89 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.269 0.628 . . . . 71.43 111.94 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.13 -18.99 60.12 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.994 0.918 . . . . 73.44 110.045 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.2 -17.04 61.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.572 1.149 . . . . 63.03 112.508 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 10' ' ' ARG . 4.6 tt -57.08 118.59 5.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.289 1.036 . . . . 72.24 109.144 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.554 ' HE2' HG12 ' A' ' 29' ' ' ILE . 8.4 mptt -77.15 82.98 3.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 108.96 -0.756 . . . . 71.24 108.96 -174.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' HB2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -126.99 96.36 4.6 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 115.81 -0.632 . . . . 50.22 109.361 -178.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.645 HH12 ' HB2' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -158.63 129.24 6.11 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.735 1.214 . . . . 75.23 108.388 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -69.63 174.48 5.0 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.738 0.815 . . . . 71.1 112.235 -174.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -69.55 148.2 96.88 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 115.265 -0.88 . . . . 53.01 111.044 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -49.23 144.02 18.01 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.392 2.728 . . . . 63.22 113.227 167.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -150.93 95.04 2.14 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.222 -1.399 . . . . 65.32 107.222 173.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.87 113.54 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.705 1.202 . . . . 52.31 110.188 -169.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.91 116.9 13.97 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.108 -0.496 . . . . 75.54 110.559 -172.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -137.15 70.32 55.74 Favored Pre-proline 0 CA--C 1.55 0.96 0 N-CA-C 108.469 -0.937 . . . . 75.23 108.469 172.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -76.72 77.36 3.71 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.954 2.436 . . . . 60.43 111.984 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -162.2 -29.04 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 115.416 -0.811 . . . . 32.24 112.392 -171.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.49 -69.53 0.51 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.978 0.511 . . . . 71.04 111.995 -170.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.52 36.0 1.07 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.096 0.958 . . . . 71.35 108.821 -176.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 5.6 m-20 -94.26 -0.12 55.28 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 113.833 -1.53 . . . . 72.01 112.511 -166.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 10.4 mp -56.65 135.1 77.94 Favored Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 122.696 0.398 . . . . 70.13 110.368 -178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LEU . 50.6 Cg_exo -56.01 120.54 8.43 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 123.291 2.661 . . . . 73.12 113.222 -172.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 39.5 mt-30 -128.09 103.7 7.36 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.669 1.188 . . . . 74.32 109.726 -173.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.85 156.03 9.05 Favored Glycine 0 C--N 1.345 1.049 0 N-CA-C 109.679 -1.368 . . . . 51.41 109.679 -174.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -58.74 -43.38 90.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.276 0.538 . . . . 52.42 111.79 -176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG12 ' HE2' ' A' ' 9' ' ' LYS . 42.8 mm -72.6 -36.03 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.311 0.644 . . . . 73.14 110.614 -175.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -67.95 -43.37 79.24 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.581 -0.736 . . . . 75.3 109.834 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -73.03 -32.29 65.0 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.341 0.656 . . . . 73.43 111.378 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.56 -55.75 18.44 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.585 0.754 . . . . 73.41 111.089 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 96.0 t -66.52 -32.98 60.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.693 -0.685 . . . . 63.4 110.043 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.81 90.0 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.967 0.507 . . . . 71.3 111.233 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.31 94.46 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.222 -0.899 . . . . 65.11 111.132 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.84 -44.68 80.44 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.049 -0.978 . . . . 71.02 110.703 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.562 ' HB2' HG21 ' A' ' 46' ' ' VAL . 23.1 m0 -65.41 -40.25 93.14 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.481 0.312 . . . . 72.34 111.346 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.6 mt-30 -68.21 -26.4 65.7 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.328 0.492 . . . . 60.33 112.328 -177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.42 -59.19 2.21 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 122.953 0.501 . . . . 74.12 111.057 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.2 mm? -58.27 -53.3 59.85 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.215 1.006 . . . . 74.24 111.944 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 43' ' ' THR . 85.6 mt -73.19 -25.86 60.94 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.383 -0.228 . . . . 74.03 110.383 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.5 m 65.89 62.58 0.61 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.982 1.313 . . . . 50.24 110.378 -175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.479 HG23 ' HB2' ' A' ' 41' ' ' LEU . 31.0 p -104.85 163.54 12.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.427 -0.806 . . . . 74.42 110.535 -178.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.39 -48.23 31.52 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.275 -0.73 . . . . 64.52 111.275 171.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -162.29 146.88 12.33 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 108.649 -0.871 . . . . 62.2 108.649 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 37' ' ' TRP . 16.6 m -127.51 137.6 57.24 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.958 0 C-N-CA 124.641 1.177 . . . . 61.44 108.962 173.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 68.1 p -120.27 -169.47 1.8 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.478 1.111 . . . . 75.51 110.371 -177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.482 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 31.8 ttt180 -58.09 -51.59 69.05 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.668 1.187 . . . . 75.14 113.645 -166.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.1 -0.05 57.13 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 119.524 -0.274 . . . . 70.13 111.433 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -57.13 120.45 8.08 Favored 'General case' 0 C--N 1.348 0.531 0 N-CA-C 108.575 -0.898 . . . . 63.25 108.575 174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 29.3 m-20 -94.38 137.32 33.67 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.866 -0.79 . . . . 73.44 108.866 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.09 -54.01 50.15 Favored 'General case' 0 C--O 1.242 0.679 0 O-C-N 124.7 1.25 . . . . 74.55 111.614 -177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -75.28 -31.06 60.61 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.611 -1.177 . . . . 72.24 111.495 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 59.7 tp60 -66.1 -36.44 83.2 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.326 0.65 . . . . 74.21 110.504 173.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -67.6 -19.92 65.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.915 0.886 . . . . 65.5 110.981 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.91 -2.14 21.27 Favored Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.986 -0.552 . . . . 41.52 113.159 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.12 130.12 16.03 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 116.885 0.343 . . . . 61.32 112.269 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -94.92 164.56 12.86 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.62 0.768 . . . . 52.0 109.453 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.2 p -59.49 -23.79 63.07 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.433 1.093 . . . . 62.22 113.175 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.96 -50.2 65.18 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.513 0.725 . . . . 73.34 109.226 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 40' ' ' LEU . 5.0 tt -67.93 -32.37 72.78 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.409 -0.814 . . . . 75.35 109.806 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -36.55 84.31 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.637 0.775 . . . . 72.13 111.899 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.8 m -61.92 -40.67 96.29 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 115.527 -0.76 . . . . 61.44 110.064 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 46.9 mtt180 -75.47 -27.36 58.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.394 0.678 . . . . 75.34 112.173 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.7 tm? -72.45 -43.45 63.75 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.782 0.833 . . . . 72.34 109.377 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.7 p -64.31 -37.66 88.3 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.164 -0.925 . . . . 73.01 110.229 173.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.38 -34.77 76.19 Favored Glycine 0 N--CA 1.478 1.449 0 CA-C-N 115.102 -0.954 . . . . 60.41 114.359 171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 85.9 mm-40 -61.99 -33.87 75.13 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.433 0.693 . . . . 65.31 111.044 174.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' A' ' 74' ' ' TYR . 72.0 mt -80.96 -28.88 35.49 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.07 -0.968 . . . . 74.44 111.448 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -58.19 -49.16 78.0 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.168 0.509 . . . . 74.05 110.807 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -71.47 -22.62 61.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.182 -0.917 . . . . 73.24 111.737 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -9.65 59.64 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.041 0.537 . . . . 32.53 111.831 175.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.04 26.02 22.92 Favored Glycine 0 C--N 1.354 1.577 0 O-C-N 123.145 0.278 . . . . 61.24 112.752 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 94.9 m-85 -121.86 127.94 51.06 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.941 0.896 . . . . 71.23 110.154 177.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.7 119.43 23.29 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 107.922 -1.14 . . . . 64.5 107.922 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -147.23 135.1 21.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.795 . . . . 75.3 110.005 -173.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -123.39 162.12 23.4 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.65 0.78 . . . . 65.53 110.546 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.04 -36.59 65.7 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.704 1.202 . . . . 45.24 110.487 177.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p -62.13 -31.28 71.74 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.959 0.904 . . . . 63.51 112.33 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -68.91 -42.94 76.17 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 110.046 -0.353 . . . . 73.44 110.046 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.8 -32.66 74.1 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 112.222 0.452 . . . . 74.15 112.222 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -85.44 -41.32 15.5 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 122.596 0.358 . . . . 71.45 110.68 -174.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.85 -30.66 56.4 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-O 121.149 0.5 . . . . 71.43 110.097 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -127.66 80.44 71.93 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 108.384 -0.969 . . . . 72.2 108.384 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 70.7 Cg_endo -74.09 -26.19 13.11 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 122.183 1.922 . . . . 72.15 113.201 -173.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.501 ' H ' ' HD2' ' A' ' 86' ' ' ARG . 2.1 mpt_? -68.57 155.87 39.14 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 109.392 -0.596 . . . . 74.33 109.392 -177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.49 -54.76 42.94 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.433 0.693 . . . . 71.12 110.235 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -82.3 -21.35 36.14 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.527 0.517 . . . . 72.31 111.301 -172.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.41 -44.93 66.93 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.388 0.614 . . . . 74.44 109.562 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -65.06 -42.75 93.89 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.479 -1.237 . . . . 71.35 110.59 172.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -66.1 -27.59 68.17 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.971 0.908 . . . . 73.13 111.731 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.645 ' HB2' HH12 ' A' ' 11' ' ' ARG . . . -72.03 -38.2 69.6 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.257 0.623 . . . . 44.44 110.42 176.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.9 p -92.03 12.87 20.46 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.306 -0.861 . . . . 63.43 112.256 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.9 143.21 34.45 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.991 0.424 . . . . 72.11 110.467 171.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.7 147.56 43.69 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.398 -1.334 . . . . 74.4 107.398 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.31 129.83 34.85 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.6 0.36 . . . . 73.11 110.234 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -87.56 142.81 27.57 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.333 -0.988 . . . . 64.33 108.333 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -68.08 119.77 13.22 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.419 0.688 . . . . 74.25 109.794 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 p -81.45 113.31 40.93 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.749 0.819 . . . . 65.52 109.531 176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.55 -37.95 20.68 Favored 'Trans proline' 0 C--N 1.383 2.377 0 C-N-CA 123.225 2.617 . . . . 64.13 112.707 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.98 57.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 114.676 -1.147 . . . . 63.41 111.182 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -155.41 34.74 0.37 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.115 -0.948 . . . . 64.02 108.922 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 68.13 135.21 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 125.535 1.534 . . . . 71.11 111.023 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.58 105.38 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.77 2.313 . . . . 74.21 111.608 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.46 93.27 0.23 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 115.905 -0.589 . . . . 74.34 109.462 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.9 m -85.45 45.26 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.593 0.757 . . . . 61.12 110.556 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -60.59 97.56 0.05 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 123.97 0.908 . . . . 75.43 110.384 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 t -105.65 102.13 36.38 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.321 -0.854 . . . . 75.31 109.194 -176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -70.12 114.33 3.73 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.494 2.129 . . . . 74.14 110.816 175.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -155.27 128.29 8.17 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.172 0.589 . . . . 73.22 109.68 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 118.959 -0.543 . . . . 74.13 110.377 178.12 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.694 -0.562 . . . . 55.13 111.694 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 t -82.7 -55.59 4.35 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.202 0.601 . . . . 74.43 110.524 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp 51.42 83.31 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 124.692 1.197 . . . . 74.22 109.992 -170.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.85 92.59 1.61 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 74.04 109.744 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -86.62 -45.97 10.53 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.822 0.849 . . . . 71.43 110.186 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -63.32 -26.17 68.64 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.539 1.136 . . . . 73.44 111.925 -178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.57 -22.26 66.15 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 122.766 0.426 . . . . 63.03 111.535 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.61 26.96 7.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.138 0.975 . . . . 72.24 110.522 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -63.99 0.96 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.963 -0.384 . . . . 71.24 109.963 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.46 148.73 30.6 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.383 -0.599 . . . . 50.22 109.383 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -119.1 143.17 47.31 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.019 0.928 . . . . 75.23 109.655 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 66.11 101.45 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 O-C-N 124.63 1.206 . . . . 71.1 111.322 -177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.9 p -78.52 147.61 72.0 Favored Pre-proline 0 CA--C 1.554 1.102 0 CA-C-N 115.224 -0.898 . . . . 53.01 109.957 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.11 136.2 36.98 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.511 2.141 . . . . 63.22 112.097 177.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.04 120.17 13.84 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.459 1.103 . . . . 65.32 109.646 178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.83 -89.33 0.15 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.659 0.384 . . . . 52.31 110.922 -173.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 172.61 159.83 0.11 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.234 1.414 . . . . 75.54 108.575 -176.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 70.87 86.03 0.12 Allowed Pre-proline 0 N--CA 1.486 1.346 0 C-N-CA 124.924 1.29 . . . . 75.23 110.744 176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.81 102.22 0.33 Allowed 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.984 2.456 . . . . 60.43 113.321 174.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.41 -74.27 0.29 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.849 0.46 . . . . 32.24 110.187 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.91 169.7 23.42 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.443 0.697 . . . . 71.04 109.439 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.7 -6.24 1.96 Allowed 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 125.407 1.483 . . . . 71.35 112.36 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 3.9 m-20 -97.56 29.83 3.15 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.129 1.371 . . . . 72.01 108.453 170.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 25' ' ' PRO . 30.0 tp -55.03 129.72 66.98 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 123.756 0.822 . . . . 70.13 109.655 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.633 ' HD2' HD12 ' A' ' 24' ' ' LEU . 6.9 Cg_endo -43.03 122.49 2.78 Favored 'Trans proline' 0 C--N 1.382 2.292 0 C-N-CA 124.915 3.744 . . . . 73.12 114.437 -173.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 43.8 mt-30 -121.27 103.92 9.34 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.313 1.045 . . . . 74.32 109.262 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.69 -173.82 26.77 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.621 -0.718 . . . . 51.41 111.353 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.571 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 37.7 t70 -82.5 -47.95 11.59 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.488 0.315 . . . . 52.42 111.344 -176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.7 mm -82.49 -29.56 9.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 N-CA-C 110.0 -0.371 . . . . 73.14 110.0 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -59.92 -46.56 88.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.282 1.033 . . . . 75.3 111.338 -175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 21.5 pttp -66.08 -30.51 71.04 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.311 0.644 . . . . 73.43 111.898 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -72.04 -52.47 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.687 0.795 . . . . 73.41 110.588 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.59 -36.33 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 115.224 -0.898 . . . . 63.4 110.303 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -61.57 -45.89 92.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.249 0.619 . . . . 71.3 112.278 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -58.25 -49.72 76.1 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.21 0.944 . . . . 65.11 110.545 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.74 -33.95 76.8 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.321 -0.854 . . . . 71.02 111.731 -177.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.492 ' HE1' HD11 ' A' ' 65' ' ' LEU . 26.1 m0 -72.18 -37.6 69.28 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.413 0.285 . . . . 72.34 110.97 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.67 ' HG3' HG22 ' A' ' 46' ' ' VAL . 74.7 mt-30 -69.87 -25.06 63.53 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.26 0.466 . . . . 60.33 112.26 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 24.0 mm-40 -86.8 -56.74 3.26 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.823 0.449 . . . . 74.12 110.575 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 ' HB3' HD21 ' A' ' 61' ' ' LEU . 4.5 mm? -66.64 -44.8 80.97 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.094 -0.957 . . . . 74.24 112.43 -172.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' HB2' HG23 ' A' ' 43' ' ' THR . 71.5 mt -76.56 -22.57 54.12 Favored 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 110.07 -0.344 . . . . 74.03 110.07 174.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 65.04 0.89 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 124.878 1.271 . . . . 50.24 109.972 -174.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 41' ' ' LEU . 81.7 p -117.96 146.82 43.71 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.948 -1.023 . . . . 74.42 110.2 -174.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.85 98.25 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.026 0.829 . . . . 64.52 112.966 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -159.14 149.34 19.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.457 0.703 . . . . 62.2 110.058 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.67 HG22 ' HG3' ' A' ' 38' ' ' GLN . 19.1 m -134.04 144.92 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.624 -0.88 . . . . 61.44 108.624 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 p -112.98 175.27 5.51 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.07 0.948 . . . . 75.51 110.365 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 58.2 mtm180 -49.88 -37.8 32.79 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 124.515 1.126 . . . . 75.14 112.213 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -107.99 3.6 24.26 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.809 -0.632 . . . . 70.13 112.202 -168.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.6 m -65.77 137.47 57.28 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 109.803 -0.443 . . . . 63.25 109.803 171.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.824 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.8 m-20 -94.26 137.47 33.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.608 0.763 . . . . 73.44 109.609 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -57.89 -54.96 40.99 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.869 0.731 . . . . 74.55 111.225 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -73.75 -40.4 63.54 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.533 -0.758 . . . . 72.24 111.935 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.824 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 13.2 tm0? -64.46 -32.48 74.13 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 123.288 0.635 . . . . 74.21 111.369 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -69.69 -20.22 63.56 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.308 0.643 . . . . 65.5 111.416 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.06 20.76 4.35 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-O 119.97 -0.35 . . . . 41.52 112.884 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.03 130.95 10.48 Favored Glycine 0 C--N 1.345 1.065 0 N-CA-C 111.784 -0.526 . . . . 61.32 111.784 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -93.08 172.07 8.54 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.457 0.703 . . . . 52.0 109.812 178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 p -70.32 -26.25 63.68 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.442 0.697 . . . . 62.22 111.23 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.68 -50.17 59.01 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.993 0.917 . . . . 73.34 108.957 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.1 tt -65.08 -31.76 73.14 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.157 -0.929 . . . . 75.35 109.266 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.47 92.02 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.313 0.645 . . . . 72.13 111.703 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.9 m -67.56 -23.78 65.46 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.506 0.669 . . . . 61.44 110.941 177.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -83.24 -39.52 20.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.023 -0.535 . . . . 75.34 110.515 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD11 ' HE1' ' A' ' 37' ' ' TRP . 3.2 tm? -65.37 -38.23 89.41 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.047 0.939 . . . . 72.34 109.956 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.7 p -56.67 -42.7 79.45 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.979 0.799 . . . . 73.01 109.944 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -57.77 -40.22 92.55 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 124.404 1.065 . . . . 60.41 113.963 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.24 -26.71 67.94 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.293 0.637 . . . . 65.31 111.888 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.94 -32.68 20.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.401 0.68 . . . . 74.44 111.024 176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -60.98 -45.1 96.12 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.4 0.68 . . . . 74.05 111.347 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.48 -29.41 69.52 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 114.823 -1.081 . . . . 73.24 111.294 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.48 -12.73 60.09 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.246 0.619 . . . . 32.53 111.472 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.81 25.55 19.88 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 116.183 -0.462 . . . . 61.24 112.503 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.87 128.27 51.41 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 108.11 -1.071 . . . . 71.23 108.11 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.87 149.79 41.32 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 108.011 -1.107 . . . . 64.5 108.011 171.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.61 127.73 8.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.218 -1.03 . . . . 75.3 108.218 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -115.52 161.02 19.19 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 109.268 -0.642 . . . . 65.53 109.268 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.65 -32.45 73.51 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 109.273 -0.64 . . . . 45.24 109.273 169.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.6 m -56.14 -39.75 72.76 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.8 1.312 . . . . 63.51 111.989 175.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -78.83 -36.74 42.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.911 0.484 . . . . 73.44 111.266 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.3 mt -67.98 -30.87 70.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.143 0.577 . . . . 74.15 111.823 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -85.13 -44.8 12.65 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.451 0.701 . . . . 71.45 109.808 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -71.34 -31.11 66.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.653 0.781 . . . . 71.43 110.904 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -128.3 80.85 71.65 Favored Pre-proline 0 N--CA 1.476 0.844 0 N-CA-C 108.257 -1.016 . . . . 72.2 108.257 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 17.4 Cg_exo -68.89 -24.65 33.6 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.225 1.95 . . . . 72.15 111.732 175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -71.84 138.55 48.35 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.989 0.515 . . . . 74.33 110.972 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.596 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.3 tt -59.15 -56.85 16.84 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.803 1.241 . . . . 71.12 112.374 -171.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.85 62.73 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 123.523 0.514 . . . . 72.31 111.399 -171.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.84 -31.94 61.8 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 115.84 -0.618 . . . . 74.44 109.95 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -72.5 -41.18 66.23 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.933 0.893 . . . . 71.35 110.639 172.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.95 75.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.803 0.841 . . . . 73.13 111.019 178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.33 -34.01 75.34 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.141 -0.936 . . . . 44.44 111.779 176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -89.01 4.1 49.4 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.727 0.64 . . . . 63.43 112.727 -177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 64.5 mt -74.69 120.79 20.72 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.996 -0.372 . . . . 72.11 109.996 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -102.19 127.35 49.17 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.183 -1.043 . . . . 74.4 108.183 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.21 118.26 9.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.282 0.233 . . . . 73.11 110.625 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.7 m -61.52 155.36 22.24 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 124.808 1.243 . . . . 64.33 110.673 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -54.78 140.98 34.43 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.739 -0.467 . . . . 74.25 109.739 170.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.8 m -61.69 116.68 22.09 Favored Pre-proline 0 CA--C 1.556 1.184 0 O-C-N 123.537 0.523 . . . . 65.52 110.034 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -58.54 -15.51 25.58 Favored 'Trans proline' 0 C--N 1.386 2.511 0 C-N-CA 123.423 2.748 . . . . 64.13 113.359 -175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.1 t -72.19 -61.39 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.51 0.724 . . . . 63.41 109.736 172.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -110.31 58.09 0.61 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.9 0.88 . . . . 64.02 109.875 -172.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.432 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 26.6 mt-30 -66.36 -41.92 44.87 Favored Pre-proline 0 CA--C 1.556 1.198 0 CA-C-N 114.519 -1.218 . . . . 71.11 111.492 171.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 103' ' ' GLN . 17.9 Cg_endo -58.31 158.23 23.29 Favored 'Trans proline' 0 C--N 1.394 2.961 0 C-N-CA 121.357 1.371 . . . . 74.21 111.509 169.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.09 -173.45 4.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.079 0.551 . . . . 74.34 110.293 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.9 t 66.18 62.19 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 CA-C-O 122.32 1.057 . . . . 61.12 109.668 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -143.78 51.49 1.33 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 114.743 -1.117 . . . . 75.43 108.813 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.3 p -64.98 121.09 72.05 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 115.654 -0.703 . . . . 75.31 109.999 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -51.66 107.55 0.19 Allowed 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 123.386 2.724 . . . . 74.14 112.488 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.05 -25.55 67.86 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.236 1.014 . . . . 73.22 111.352 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 123.141 0.576 . . . . 74.13 109.963 175.458 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.57 -0.612 . . . . 55.13 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -99.33 65.65 1.43 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.464 0.705 . . . . 74.43 109.232 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.41 114.34 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 106.939 -1.504 . . . . 74.22 106.939 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -71.9 94.72 1.47 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.265 0.555 . . . . 74.04 111.26 -171.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 66.7 m-85 -85.94 -5.1 59.28 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 115.198 -0.91 . . . . 71.43 110.535 173.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -56.71 18.38 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.45 -13.56 58.06 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.278 -0.874 . . . . 63.03 111.557 -176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.71 79.0 1.42 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.218 0.532 . . . . 72.24 110.188 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 5' ' ' TYR . 5.0 tmtm? -149.9 75.09 1.24 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.058 -1.46 . . . . 71.24 107.058 164.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.01 156.4 10.67 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.08 -1.418 . . . . 50.22 110.046 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -156.79 -169.51 3.01 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.329 1.452 . . . . 75.23 108.51 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -72.63 85.01 1.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 106.857 -1.534 . . . . 71.1 106.857 160.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 m -100.78 98.58 8.56 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 123.794 0.837 . . . . 53.01 109.423 -172.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.96 142.38 13.78 Favored 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 122.194 1.929 . . . . 63.22 112.123 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 69.29 174.48 0.29 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.831 1.253 . . . . 65.32 112.466 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.22 -85.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 109.046 -0.724 . . . . 52.31 109.046 174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 52.14 -132.5 1.94 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.465 1.106 . . . . 75.54 110.955 176.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.579 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . 13.5 t30 73.8 148.92 0.12 Allowed Pre-proline 0 N--CA 1.495 1.8 0 C-N-CA 123.887 0.875 . . . . 75.23 112.402 160.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.36 -42.27 13.69 Favored 'Trans proline' 0 C--N 1.396 3.035 0 C-N-CA 123.224 2.616 . . . . 60.43 113.208 173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 74.5 -62.16 0.47 Allowed 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 125.406 1.483 . . . . 32.24 113.113 169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -67.72 -12.15 59.9 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 114.274 -1.33 . . . . 71.04 111.932 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.57 0.51 26.6 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.542 0.737 . . . . 71.35 111.274 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -123.91 31.59 5.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.232 1.013 . . . . 72.01 112.297 -168.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HG22 ' A' ' 47' ' ' THR . 10.6 mp -58.1 154.64 28.96 Favored Pre-proline 0 CA--C 1.559 1.289 0 C-N-CA 123.29 0.636 . . . . 70.13 111.426 174.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 16.9 Cg_endo -55.44 121.03 9.2 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 122.747 2.298 . . . . 73.12 111.95 178.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' ' 5' ' ' TYR . 3.7 pp0? -129.14 49.06 2.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.839 0.828 . . . . 74.32 111.067 -164.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 163.82 30.27 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-N 114.966 -1.015 . . . . 51.41 111.253 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.08 -44.02 61.15 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.374 1.469 . . . . 52.42 112.722 -173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.41 -53.14 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 115.05 -0.977 . . . . 73.14 109.736 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.83 -40.07 75.37 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.861 0.725 . . . . 75.3 111.794 -172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -34.35 72.72 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.185 0.594 . . . . 73.43 111.504 -176.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -75.59 -43.88 45.93 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.476 0.71 . . . . 73.41 110.181 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG22 HD21 ' A' ' 69' ' ' LEU . 86.7 t -59.29 -44.27 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.72 0.808 . . . . 63.4 109.48 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.06 99.46 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.753 0.821 . . . . 71.3 111.708 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 39' ' ' GLN . . . -58.9 -42.36 89.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.151 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.4 -33.82 73.59 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.488 -0.778 . . . . 71.02 111.547 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.578 ' HB2' HG21 ' A' ' 46' ' ' VAL . 14.8 m0 -69.45 -30.57 68.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 122.038 -0.414 . . . . 72.34 110.5 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG3' HG22 ' A' ' 46' ' ' VAL . 79.0 mt-30 -77.6 -22.05 51.45 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.164 0.586 . . . . 60.33 111.827 178.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 35' ' ' ALA . 90.2 mt-30 -84.23 -61.31 1.84 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.041 0.537 . . . . 74.12 109.797 173.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.57 -47.83 83.71 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.667 1.187 . . . . 74.24 113.006 -172.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 43' ' ' THR . 52.4 mt -82.94 -16.67 46.46 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.492 0.317 . . . . 74.03 110.405 177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.1 m 55.87 59.08 3.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.747 1.219 . . . . 50.24 110.08 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.46 HG23 ' HB2' ' A' ' 41' ' ' LEU . 42.0 p -106.1 155.3 19.56 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-N 114.249 -1.341 . . . . 74.42 110.051 -176.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.97 -54.69 8.95 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 123.681 0.613 . . . . 64.52 112.203 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -154.15 113.39 3.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.313 0.645 . . . . 62.2 109.351 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 37' ' ' TRP . 15.4 m -102.72 140.61 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.412 0.685 . . . . 61.44 109.616 174.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 24' ' ' LEU . 32.6 p -128.13 -171.75 2.52 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.982 1.313 . . . . 75.51 109.959 -174.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 21.3 ttt85 -55.03 -49.12 72.35 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 113.816 1.043 . . . . 75.14 113.816 -170.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 0.3 OUTLIER -81.78 -9.53 59.6 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.589 0.755 . . . . 70.13 111.896 -171.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -56.09 117.59 3.88 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 123.563 0.539 . . . . 63.25 109.96 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 54' ' ' GLN . 10.1 t0 -92.81 123.23 35.94 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 106.384 -1.709 . . . . 73.44 106.384 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -56.07 -48.28 76.38 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.878 0.871 . . . . 74.55 111.21 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 78.2 m-85 -72.34 -42.91 64.83 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 114.734 -1.121 . . . . 72.24 111.151 -173.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.531 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 6.5 tp60 -71.12 -25.33 62.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.478 0.711 . . . . 74.21 111.472 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -68.58 -20.32 64.51 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.481 0.713 . . . . 65.5 110.823 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.59 -8.82 13.17 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.97 -0.559 . . . . 41.52 111.721 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' PHE . . . -73.45 130.2 13.14 Favored Glycine 0 C--N 1.347 1.162 0 N-CA-C 112.472 -0.251 . . . . 61.32 112.472 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -86.88 169.49 12.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.143 0.577 . . . . 52.0 109.85 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.4 p -69.56 -29.31 66.85 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.157 0.583 . . . . 62.22 111.215 176.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.81 -46.38 78.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.335 1.054 . . . . 73.34 109.117 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.79 -35.24 79.95 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 114.604 -1.18 . . . . 75.35 109.383 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.88 -30.91 67.42 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.186 0.994 . . . . 72.13 111.754 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.5 m -67.32 -37.69 83.73 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.342 0.657 . . . . 61.44 110.045 172.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -67.57 -40.47 84.87 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 116.256 -0.429 . . . . 75.34 110.214 174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.6 -46.34 88.72 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.873 0.869 . . . . 72.34 110.241 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.7 p -62.4 -34.39 76.64 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.968 -0.56 . . . . 73.01 110.538 175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.12 98.05 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-N 115.026 -0.988 . . . . 60.41 113.509 172.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.555 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.2 mp0 -68.32 -34.57 76.37 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.041 0.536 . . . . 65.31 110.969 175.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 33' ' ' VAL . 78.2 mt -66.87 -34.67 78.3 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.882 -0.599 . . . . 74.44 110.273 172.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -65.43 -28.27 69.12 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.181 0.593 . . . . 74.05 110.99 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 68' ' ' GLN . 34.8 mt-30 -72.56 -30.47 64.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.972 0.509 . . . . 73.24 111.016 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.99 0.58 39.5 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 123.264 0.625 . . . . 32.53 111.181 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.95 18.64 76.57 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-N 115.766 -0.652 . . . . 61.24 113.134 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 94' ' ' LEU . 85.6 m-85 -96.6 128.97 44.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.464 0.706 . . . . 71.23 110.366 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 117.06 17.66 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 108.246 -1.02 . . . . 64.5 108.246 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.0 135.7 36.2 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.267 1.027 . . . . 75.3 109.226 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -128.98 145.55 51.21 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.37 0.668 . . . . 65.53 111.656 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.1 tp -63.4 -29.05 70.41 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 114.397 -1.274 . . . . 45.24 110.993 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.4 m -57.04 -47.5 80.76 Favored 'General case' 0 C--O 1.245 0.852 0 C-N-CA 123.774 0.83 . . . . 63.51 111.323 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.55 -14.35 59.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.898 -0.592 . . . . 73.44 111.21 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD13 ' HB1' ' A' ' 62' ' ' ALA . 32.5 mt -73.43 -31.37 63.79 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 122.909 0.484 . . . . 74.15 111.776 170.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -75.16 -30.7 60.82 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 110.129 -0.322 . . . . 71.45 110.129 171.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -77.61 -33.49 53.7 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 115.883 -0.599 . . . . 71.43 110.28 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -138.7 79.68 27.93 Favored Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 124.4 1.08 . . . . 72.2 108.177 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -72.81 -23.39 19.13 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.77 2.313 . . . . 72.15 112.25 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.4 mpp_? -70.8 142.48 51.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.002 0.921 . . . . 74.33 110.429 175.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.31 -64.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.398 1.079 . . . . 71.12 111.589 -171.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB3' ' HG3' ' A' ' 48' ' ' ARG . . . -76.67 -17.92 58.85 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.279 0.561 . . . . 72.31 110.602 -171.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.97 -31.84 61.55 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.032 -0.986 . . . . 74.44 109.626 177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -83.93 -43.25 15.44 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.746 0.818 . . . . 71.35 110.892 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.58 93.94 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.093 0.957 . . . . 73.13 111.687 -173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.14 -12.52 61.05 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 115.726 -0.67 . . . . 44.44 112.351 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.6 m -94.63 -32.39 13.42 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.219 0.608 . . . . 63.43 112.12 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' TYR . 4.4 pp -74.74 154.09 38.54 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.394 0.616 . . . . 72.11 110.975 -172.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -125.45 174.03 8.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.719 1.207 . . . . 74.4 109.157 -173.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -67.23 160.46 26.96 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.866 0.841 . . . . 73.11 111.531 170.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 26.1 m -94.94 159.29 15.1 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-N 114.015 -1.448 . . . . 64.33 107.708 172.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.68 110.89 1.42 Allowed 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.395 -0.595 . . . . 74.25 109.395 173.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 m -63.48 147.76 94.85 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 123.736 0.648 . . . . 65.52 109.795 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.65 -14.43 31.32 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.677 2.251 . . . . 64.13 113.667 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.9 t 68.55 151.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 C-N-CA 125.201 1.401 . . . . 63.41 110.291 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 80.04 -27.09 0.15 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.359 1.463 . . . . 64.02 111.654 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -72.09 110.62 8.29 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 124.263 1.025 . . . . 71.11 110.056 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -84.99 19.93 1.32 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 123.341 2.694 . . . . 74.21 112.611 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.7 33.32 2.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.063 0.945 . . . . 74.34 110.688 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.0 m -114.42 105.97 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 C-N-CA 124.689 1.195 . . . . 61.12 107.792 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -166.21 -30.22 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.469 0.708 . . . . 75.43 111.063 -168.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.3 p -62.77 166.14 8.24 Favored Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 124.021 0.928 . . . . 75.31 111.545 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.05 -10.18 0.64 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 123.689 2.926 . . . . 74.14 115.631 172.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -87.08 5.01 39.82 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.341 1.057 . . . . 73.22 111.054 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.485 1.283 0 C-N-CA 125.805 1.642 . . . . 74.13 110.127 -175.776 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.808 -0.517 . . . . 55.13 111.808 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p 53.47 -86.89 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 126.196 1.798 . . . . 74.43 112.705 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -146.44 166.63 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.852 1.261 . . . . 74.22 109.031 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.69 87.04 2.17 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.406 -0.59 . . . . 74.04 109.406 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -86.85 -32.6 20.18 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.33 0.652 . . . . 71.43 112.102 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -85.53 -58.25 2.74 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.069 0.548 . . . . 73.44 111.364 -171.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.45 -26.15 55.11 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.499 0.319 . . . . 63.03 110.468 176.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.2 62.49 2.18 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.754 1.221 . . . . 72.24 109.567 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.34 74.97 10.27 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.403 -0.962 . . . . 71.24 108.403 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 152.28 32.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.238 -0.437 . . . . 50.22 110.441 -174.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -157.23 119.88 3.94 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 107.985 -1.116 . . . . 75.23 107.985 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -64.83 -28.21 69.4 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.756 0.422 . . . . 71.1 110.602 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 m 64.03 82.6 0.21 Allowed Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 124.773 1.229 . . . . 53.01 111.723 171.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.49 78.67 0.9 Allowed 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.731 2.287 . . . . 63.22 111.506 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -156.31 171.54 20.04 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 114.921 -1.036 . . . . 65.32 108.839 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.01 154.0 1.65 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.854 0.862 . . . . 52.31 111.552 173.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -54.66 104.71 0.12 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.731 1.213 . . . . 75.54 110.963 -168.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.64 120.52 49.91 Favored Pre-proline 0 C--O 1.248 0.993 0 O-C-N 124.216 0.948 . . . . 75.23 110.315 -177.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.03 80.13 0.53 Allowed 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 123.251 2.634 . . . . 60.43 111.218 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.93 -68.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.28 -1.327 . . . . 32.24 108.846 -174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -139.41 -10.11 1.25 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.455 0.539 . . . . 71.04 112.455 -171.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 -22.02 20.27 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 121.114 0.483 . . . . 71.35 110.979 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -101.59 -19.39 15.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.116 0.967 . . . . 72.01 112.695 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD12 ' HG3' ' A' ' 26' ' ' GLN . 3.0 pp -51.36 160.94 0.85 Allowed Pre-proline 0 N--CA 1.5 2.05 0 C-N-CA 124.313 1.045 . . . . 70.13 112.996 -173.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -59.86 118.26 5.11 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 121.518 1.478 . . . . 73.12 111.84 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.43 ' HG3' HD12 ' A' ' 24' ' ' LEU . 38.7 mt-30 -131.73 142.92 49.91 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.48 -1.304 . . . . 74.32 107.48 -176.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 138.9 9.23 Favored Glycine 0 N--CA 1.469 0.85 0 N-CA-C 110.923 -0.871 . . . . 51.41 110.923 -171.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.22 -45.77 68.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.588 1.155 . . . . 52.42 112.944 -174.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 33' ' ' VAL . 45.3 mm -72.16 -50.57 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 115.645 -0.707 . . . . 73.14 110.037 -177.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -54.35 -45.23 72.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.06 0.544 . . . . 75.3 112.105 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -70.92 -28.93 64.87 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 123.551 0.532 . . . . 73.43 111.682 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.64 -48.65 59.16 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.467 0.707 . . . . 73.41 109.679 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 29' ' ' ILE . 38.8 t -66.56 -37.07 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 114.649 -1.159 . . . . 63.4 110.245 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.69 -40.49 80.03 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.432 -0.804 . . . . 71.3 112.202 -176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.9 -35.29 70.83 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.833 0.708 . . . . 65.11 110.397 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.13 -40.92 62.32 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.037 -0.983 . . . . 71.02 110.417 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.523 ' HB2' HG21 ' A' ' 46' ' ' VAL . 22.7 m0 -61.2 -36.2 79.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.043 0.537 . . . . 72.34 110.751 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HG3' HG22 ' A' ' 46' ' ' VAL . 77.1 mt-30 -68.6 -48.44 64.14 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.924 0.49 . . . . 60.33 111.415 -175.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.0 -41.38 74.45 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 122.475 0.31 . . . . 74.12 111.342 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' HB3' HD21 ' A' ' 61' ' ' LEU . 3.9 mm? -67.49 -50.81 57.29 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.993 0.917 . . . . 74.24 112.472 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' THR . 64.5 mt -78.28 -10.61 59.74 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.709 0.404 . . . . 74.03 111.627 -178.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 64.58 42.3 4.94 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.085 0.954 . . . . 50.24 111.009 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 41' ' ' LEU . 57.8 p -101.33 171.92 7.3 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 124.028 0.931 . . . . 74.42 110.549 -177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.44 -70.81 1.26 Allowed Glycine 0 C--N 1.348 1.198 0 N-CA-C 110.453 -1.059 . . . . 64.52 110.453 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -143.06 107.51 4.8 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.913 0.885 . . . . 62.2 109.108 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 37' ' ' TRP . 26.8 m -70.4 156.86 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.711 -0.848 . . . . 61.44 108.711 164.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 48.9 p -128.69 175.56 8.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.155 0.982 . . . . 75.51 109.835 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HA ' ' HB3' ' A' ' 87' ' ' LEU . 68.6 mtt180 -55.38 -30.52 60.52 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.682 0.793 . . . . 75.14 112.358 174.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 86' ' ' ARG . 37.0 tt0 -93.56 -17.88 22.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.84 0.856 . . . . 70.13 112.127 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.8 m -59.88 135.11 57.6 Favored 'General case' 0 CA--C 1.556 1.189 0 CA-C-O 121.226 0.536 . . . . 63.25 111.651 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.45 116.6 28.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.083 1.353 . . . . 73.44 107.768 -179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -52.79 -53.07 53.63 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.408 1.083 . . . . 74.55 112.886 -173.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -72.25 -41.81 66.36 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.633 0.773 . . . . 72.24 111.637 -173.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -66.12 -28.42 68.79 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.117 0.567 . . . . 74.21 111.072 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -83.34 13.71 4.13 Favored 'General case' 0 CA--C 1.56 1.363 0 C-N-CA 123.935 0.894 . . . . 65.5 111.53 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.94 19.91 15.77 Favored Glycine 0 C--N 1.346 1.119 0 O-C-N 121.932 -0.48 . . . . 41.52 112.767 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.13 146.45 18.29 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 111.304 -0.718 . . . . 61.32 111.304 174.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -122.67 175.69 6.36 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.897 0.879 . . . . 52.0 109.333 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.2 p -65.05 -27.9 69.1 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.454 0.701 . . . . 62.22 111.844 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -70.56 -46.53 63.34 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.556 0.743 . . . . 73.34 109.136 176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.755 HD21 ' HB3' ' A' ' 40' ' ' LEU . 4.5 tt -65.52 -30.8 71.6 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.43 0.692 . . . . 75.35 109.659 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.91 85.74 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.691 0.796 . . . . 72.13 111.184 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.8 m -60.83 -43.87 97.68 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.646 0.779 . . . . 61.44 110.254 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.37 -50.56 72.38 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.674 0.79 . . . . 75.34 110.878 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD12 HD11 ' A' ' 81' ' ' LEU . 3.3 tm? -59.28 -47.06 86.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.609 1.164 . . . . 72.34 110.722 -173.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HA ' HD12 ' A' ' 69' ' ' LEU . 61.8 p -65.35 -30.1 70.9 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.293 -0.867 . . . . 73.01 110.676 178.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.82 -40.27 97.98 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 123.933 0.771 . . . . 60.41 113.031 169.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.11 -33.91 76.48 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 117.299 0.549 . . . . 65.31 110.754 174.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' THR . 82.9 mt -69.39 -34.1 74.01 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.094 0.557 . . . . 74.44 111.04 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -63.96 -30.23 71.32 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.473 0.709 . . . . 74.05 110.985 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 12.0 mt-30 -67.48 -36.19 80.65 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.333 -0.849 . . . . 73.24 109.879 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.21 0.22 25.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.885 0.874 . . . . 32.53 111.382 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.58 25.53 65.13 Favored Glycine 0 C--N 1.348 1.198 0 O-C-N 123.041 0.213 . . . . 61.24 112.908 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 84.7 m-85 -113.87 125.26 53.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.824 0.849 . . . . 71.23 109.499 174.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HB3' ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -81.35 133.24 35.39 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 108.115 -1.069 . . . . 64.5 108.115 179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 150.16 25.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.147 0.979 . . . . 75.3 109.849 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -127.7 154.76 44.94 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.831 0.852 . . . . 65.53 109.083 176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.68 -25.94 63.35 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.113 0.565 . . . . 45.24 110.38 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.478 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 15.6 m -53.54 -43.73 68.65 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.1 1.36 . . . . 63.51 111.619 172.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -68.93 -40.84 78.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.265 0.626 . . . . 73.44 110.888 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD11 HD12 ' A' ' 65' ' ' LEU . 8.9 mt -64.06 -41.66 97.28 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.989 0.736 . . . . 74.15 112.989 -175.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HA ' ' A' ' 79' ' ' SER . 3.4 p90 -78.5 -22.26 47.7 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 118.22 0.463 . . . . 71.45 111.427 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -85.94 -24.11 26.68 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.501 0.72 . . . . 71.43 110.652 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -132.04 79.95 65.83 Favored Pre-proline 0 N--CA 1.482 1.131 0 C-N-CA 124.414 1.085 . . . . 72.2 109.085 -175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -67.32 -42.69 7.12 Favored 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 123.314 2.676 . . . . 72.15 115.361 -175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 49' ' ' GLU . 1.3 mpp_? -72.41 144.23 48.24 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.035 0.534 . . . . 74.33 111.035 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.663 ' HB3' ' HA ' ' A' ' 48' ' ' ARG . 26.9 tp -60.9 -44.88 96.52 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.422 1.089 . . . . 71.12 112.089 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.12 88.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.268 0.627 . . . . 72.31 111.293 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.22 -35.28 48.58 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 114.588 -1.187 . . . . 74.44 111.74 -175.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -74.87 -43.41 54.6 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 71.35 111.067 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.17 71.15 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.647 -0.706 . . . . 73.13 110.946 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.68 89.2 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.257 0.623 . . . . 44.44 111.327 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 p -86.48 8.56 21.38 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 112.649 0.611 . . . . 63.43 112.649 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.9 mt -75.68 155.38 35.77 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-O 121.639 0.733 . . . . 72.11 110.517 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.47 ' HG3' ' HB3' ' A' ' 75' ' ' GLU . 15.7 ptt-85 -146.94 165.15 30.67 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 106.355 -1.72 . . . . 74.4 106.355 -174.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.0 mttt -90.77 155.54 18.72 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.129 0.877 . . . . 73.11 111.262 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.3 m -89.27 134.74 33.93 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 114.984 -1.007 . . . . 64.33 108.665 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.92 110.11 2.76 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.317 -0.623 . . . . 74.25 109.317 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.96 134.26 56.79 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.914 0.486 . . . . 65.52 110.057 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -82.45 -6.31 11.8 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.718 2.279 . . . . 64.13 112.057 176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -110.67 158.08 11.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 C-N-CA 124.311 1.044 . . . . 63.41 110.242 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.75 125.08 44.1 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.104 -1.073 . . . . 64.02 108.104 173.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -127.59 111.55 20.85 Favored Pre-proline 0 N--CA 1.478 0.944 0 C-N-CA 123.992 0.917 . . . . 71.11 108.776 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -59.83 98.6 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.394 0 C-N-CA 122.811 2.341 . . . . 74.21 111.458 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -60.95 -55.41 33.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.021 0.928 . . . . 74.34 110.615 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.4 t 40.77 84.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 126.375 1.87 . . . . 61.12 112.866 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -110.1 138.12 46.91 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.232 0.613 . . . . 75.43 110.018 179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.39 143.73 28.14 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 123.668 0.787 . . . . 75.31 110.901 -172.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.89 -56.33 0.33 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 122.692 2.261 . . . . 74.14 112.437 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -110.14 -88.22 0.51 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.726 0.81 . . . . 73.22 109.836 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.377 0 C-N-CA 125.106 1.363 . . . . 74.13 112.328 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.833 0 N-CA-C 111.058 -0.817 . . . . 55.13 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.6 m -144.42 94.37 2.55 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.545 0.738 . . . . 74.43 109.241 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tp -165.69 133.66 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 108.418 -0.956 . . . . 74.22 108.418 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -72.6 82.77 1.12 Allowed 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.885 -0.413 . . . . 74.04 109.885 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -86.13 -20.37 28.75 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.153 0.981 . . . . 71.43 109.363 170.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.99 -36.32 65.3 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.127 1.371 . . . . 73.44 112.28 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -13.18 62.2 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.293 0.849 . . . . 63.03 113.293 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 mt -74.76 -177.17 3.13 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.345 0.258 . . . . 72.24 110.503 170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.6 tttp 76.01 9.43 3.35 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 125.007 1.323 . . . . 71.24 111.542 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -85.14 104.0 14.63 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 108.257 -1.016 . . . . 50.22 108.257 171.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -63.37 114.7 4.01 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.151 -0.931 . . . . 75.23 109.21 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.7 165.14 10.83 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 123.82 0.7 . . . . 71.1 110.649 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -54.21 141.25 51.81 Favored Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 123.885 0.874 . . . . 53.01 111.379 -174.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.37 5.88 2.13 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.741 2.294 . . . . 63.22 113.729 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -67.87 149.33 49.97 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.205 1.002 . . . . 65.32 110.432 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.26 -165.39 0.22 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.616 1.166 . . . . 52.31 110.929 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -66.94 148.97 51.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.689 0.395 . . . . 75.54 110.059 175.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -53.57 138.38 51.06 Favored Pre-proline 0 N--CA 1.484 1.247 0 C-N-CA 124.464 1.106 . . . . 75.23 112.557 -176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -66.55 4.15 1.15 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.48 2.787 . . . . 60.43 114.236 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -36.07 49.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.077 1.351 . . . . 32.24 112.306 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.97 -42.36 80.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.798 0.839 . . . . 71.04 111.797 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.56 -27.29 58.56 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.421 0.689 . . . . 71.35 111.758 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -95.86 11.26 34.36 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 123.91 0.884 . . . . 72.01 110.479 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.28 133.46 81.19 Favored Pre-proline 0 CA--C 1.563 1.47 0 C-N-CA 124.327 1.051 . . . . 70.13 111.277 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 47' ' ' THR . 36.0 Cg_exo -62.28 150.07 88.36 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 123.018 2.479 . . . . 73.12 112.98 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -148.29 106.72 3.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.777 0.831 . . . . 74.32 109.496 -173.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.99 148.69 4.84 Favored Glycine 0 C--N 1.339 0.713 0 N-CA-C 109.166 -1.574 . . . . 51.41 109.166 -173.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -55.69 -51.1 68.44 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.334 0.654 . . . . 52.42 111.647 -174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG22 ' HB1' ' A' ' 91' ' ' ALA . 1.6 mp -69.8 -47.1 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.158 0 CA-C-N 115.871 -0.604 . . . . 73.14 109.385 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.15 -43.4 87.35 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 113.113 0.783 . . . . 75.3 113.113 -173.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -74.16 -28.81 61.49 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.7 0.4 . . . . 73.43 110.795 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -74.74 -42.44 58.26 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 123.452 0.701 . . . . 73.41 110.444 177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 29' ' ' ILE . 87.1 t -63.81 -37.51 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 63.4 109.381 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HA ' HD11 ' A' ' 87' ' ' LEU . . . -59.66 -48.46 81.56 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.166 0.586 . . . . 71.3 111.034 173.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.55 -41.79 86.43 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.541 0.736 . . . . 65.11 111.275 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 40' ' ' LEU . 95.7 mt -69.47 -37.71 77.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.373 0.669 . . . . 71.02 111.501 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.689 ' HB2' HG21 ' A' ' 46' ' ' VAL . 27.7 m0 -70.19 -30.56 67.71 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 118.031 0.378 . . . . 72.34 110.869 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.638 ' HG3' HG22 ' A' ' 46' ' ' VAL . 76.6 mt-30 -71.17 -22.79 61.99 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.049 0.54 . . . . 60.33 111.572 177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -88.08 -51.94 5.52 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.328 0.651 . . . . 74.12 110.735 175.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD21 HE21 ' A' ' 68' ' ' GLN . 4.6 mm? -66.6 -53.84 30.03 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.52 1.128 . . . . 74.24 112.74 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' HB2' HG23 ' A' ' 43' ' ' THR . 70.3 mt -72.78 -23.64 60.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.566 0.347 . . . . 74.03 110.272 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.8 t 62.85 70.0 0.57 Allowed 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.961 1.304 . . . . 50.24 109.631 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' HA ' ' A' ' 38' ' ' GLN . 68.3 p -121.09 157.73 29.44 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.021 -0.99 . . . . 74.42 110.26 -174.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.01 -46.26 67.25 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.759 0.662 . . . . 64.52 112.429 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -165.36 125.16 1.8 Allowed 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.91 0.884 . . . . 62.2 108.985 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 37' ' ' TRP . 27.2 m -105.38 150.77 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.434 0.694 . . . . 61.44 109.34 170.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 p -123.08 179.89 4.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.942 0.897 . . . . 75.51 111.49 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 35.9 ptt180 -65.8 -29.76 70.29 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.449 0.7 . . . . 75.14 111.913 -172.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 34.2 tt0 -103.22 4.69 37.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.572 0.749 . . . . 70.13 110.531 -177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.6 m -67.09 127.99 34.68 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.391 -0.596 . . . . 63.25 109.391 167.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 3.9 m-20 -96.25 134.82 38.89 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.178 0.591 . . . . 73.44 109.564 174.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -56.66 -53.74 54.12 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.353 1.061 . . . . 74.55 111.295 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HD1' ' HB3' ' A' ' 85' ' ' PRO . 88.0 m-85 -71.76 -28.5 63.69 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.278 -0.873 . . . . 72.24 111.592 -176.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 12.2 tm0? -67.12 -33.13 74.8 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.48 0.712 . . . . 74.21 110.695 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -86.35 19.31 2.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.327 0.651 . . . . 65.5 112.226 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 10.49 81.21 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.901 -0.388 . . . . 41.52 113.599 175.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 133.58 22.83 Favored Glycine 0 C--N 1.347 1.175 0 N-CA-C 111.474 -0.651 . . . . 61.32 111.474 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -101.19 169.33 8.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.213 0.605 . . . . 52.0 109.632 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.3 p -56.75 -42.25 78.98 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.931 0.892 . . . . 62.22 111.399 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.6 -35.12 67.82 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.654 0.781 . . . . 73.34 110.568 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.76 -34.44 78.34 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 108.698 -0.853 . . . . 75.35 108.698 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.629 ' HB1' HD13 ' A' ' 81' ' ' LEU . . . -70.57 -26.64 63.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.7 0.8 . . . . 72.13 111.602 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.4 m -69.54 -36.77 76.67 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.395 0.678 . . . . 61.44 109.782 175.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -65.78 -47.65 74.46 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.061 -0.972 . . . . 75.34 109.655 174.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.9 tm? -64.37 -44.84 90.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.296 1.039 . . . . 72.34 111.24 -174.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.45 ' HA ' HD12 ' A' ' 69' ' ' LEU . 22.2 p -59.75 -35.58 74.88 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 123.452 0.47 . . . . 73.01 110.315 176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -59.77 -42.66 98.12 Favored Glycine 0 C--N 1.346 1.099 0 O-C-N 124.144 0.903 . . . . 60.41 113.46 174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HA ' HE21 ' A' ' 71' ' ' GLN . 2.7 mp0 -63.46 -38.34 90.76 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-N 117.309 0.555 . . . . 65.31 110.906 177.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 66' ' ' THR . 69.3 mt -65.19 -36.35 83.91 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.535 0.734 . . . . 74.44 110.637 176.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -63.87 -34.66 78.45 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 124.053 0.846 . . . . 74.05 111.039 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.485 HE21 ' HA ' ' A' ' 68' ' ' GLN . 47.5 mt-30 -75.5 -24.42 56.85 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.806 0.842 . . . . 73.24 110.914 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.62 -1.38 50.78 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.318 0.647 . . . . 32.53 111.321 171.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.17 33.89 43.32 Favored Glycine 0 C--N 1.352 1.428 0 CA-C-N 116.44 -0.345 . . . . 61.24 112.892 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -118.29 135.12 54.48 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 108.353 -0.98 . . . . 71.23 108.353 173.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -76.4 137.23 39.63 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 108.419 -0.956 . . . . 64.5 108.419 173.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 128.64 12.3 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.932 0.893 . . . . 75.3 109.895 -169.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -123.0 149.07 44.79 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.796 0.839 . . . . 65.53 111.048 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.58 -38.44 87.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.169 0.988 . . . . 45.24 111.091 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.9 t -58.91 -40.16 83.68 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.106 0.879 . . . . 63.51 110.888 177.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.28 -42.78 54.09 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.962 -0.542 . . . . 73.44 110.953 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HB1' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.32 -34.34 77.48 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 74.15 111.53 176.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.66 -38.46 91.09 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.478 0.711 . . . . 71.45 110.346 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -83.33 -30.49 27.45 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.94 0.896 . . . . 71.43 111.213 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -118.3 82.81 19.2 Favored Pre-proline 0 N--CA 1.484 1.252 0 C-N-CA 123.591 0.757 . . . . 72.2 109.352 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 5.8 Cg_exo -78.41 -32.94 2.04 Favored 'Trans proline' 0 C--N 1.368 1.603 0 C-N-CA 121.81 1.673 . . . . 72.15 111.315 174.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HB3' ' HB3' ' A' ' 89' ' ' ASP . 7.5 tpp85 -52.53 125.84 17.64 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.448 1.499 . . . . 74.33 111.019 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 34' ' ' ALA . 7.5 tt -59.72 -58.03 10.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.349 0.659 . . . . 71.12 111.852 -171.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -69.34 -30.96 69.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.8 0.44 . . . . 72.31 112.054 -175.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 86' ' ' ARG . 36.0 t70 -72.0 -32.31 67.08 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.914 0.486 . . . . 74.44 110.945 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -77.22 -40.99 43.02 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.53 0.732 . . . . 71.35 110.329 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 29' ' ' ILE . . . -67.56 -38.42 84.09 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.534 0.733 . . . . 73.13 111.67 -175.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.68 -20.69 64.45 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.135 -0.484 . . . . 44.44 111.715 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 m -80.1 -30.26 39.14 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.315 0.646 . . . . 63.43 110.768 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.72 118.19 9.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.883 0.473 . . . . 72.11 111.356 -175.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -115.46 160.46 19.88 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.084 0.953 . . . . 74.4 109.582 177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -80.12 139.76 36.71 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.685 -0.688 . . . . 73.11 111.418 -171.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.8 m -80.64 140.65 35.59 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 114.372 -1.285 . . . . 64.33 109.817 176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.88 109.65 1.31 Allowed 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.959 -0.756 . . . . 74.25 108.959 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.2 m -94.34 98.85 3.25 Favored Pre-proline 0 CA--C 1.56 1.329 0 C-N-CA 123.611 0.765 . . . . 65.52 111.057 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.96 -13.85 13.96 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.801 2.334 . . . . 64.13 113.645 -172.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.4 p -73.14 -48.84 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 122.929 0.492 . . . . 63.41 110.512 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -168.49 142.48 3.2 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.232 1.013 . . . . 64.02 108.523 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -122.52 102.66 38.92 Favored Pre-proline 0 CA--C 1.545 0.76 0 N-CA-C 108.642 -0.873 . . . . 71.11 108.642 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.57 -178.29 3.3 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.812 2.341 . . . . 74.21 112.273 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -87.94 48.98 1.72 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.258 0.623 . . . . 74.34 110.316 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.61 115.93 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 61.12 110.069 -175.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -101.32 83.1 2.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.747 0.819 . . . . 75.43 110.344 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.483 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 24.7 p -161.41 51.08 0.33 Allowed Pre-proline 0 CA--C 1.561 1.395 0 CA-C-N 115.356 -0.838 . . . . 75.31 111.106 177.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 108' ' ' SER . 49.6 Cg_endo -92.97 64.61 0.54 Allowed 'Trans proline' 0 C--N 1.38 2.217 0 C-N-CA 122.756 2.304 . . . . 74.14 110.581 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -76.18 79.0 2.98 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.187 -0.915 . . . . 73.22 110.666 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 125.203 1.401 . . . . 74.13 107.327 -177.262 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 112.101 -0.4 . . . . 55.13 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.4 p -88.43 72.19 8.91 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.723 0.809 . . . . 74.43 110.928 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.39 146.35 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.518 1.127 . . . . 74.22 108.049 170.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.621 ' HB3' ' HB3' ' A' ' 7' ' ' ALA . 4.0 m-20 -88.34 89.23 7.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.348 0.659 . . . . 74.04 110.728 -170.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -65.2 -39.8 93.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.214 0.606 . . . . 71.43 111.818 177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.42 -36.84 28.99 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.435 0.694 . . . . 73.44 111.684 -176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.621 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . . . -76.14 -35.24 59.32 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.86 0.464 . . . . 63.03 111.466 -177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -76.11 -35.54 59.25 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.52 -0.548 . . . . 72.24 109.52 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 67.1 8.04 5.88 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 124.712 1.205 . . . . 71.24 111.795 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -78.1 92.89 4.44 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 121.835 0.826 . . . . 50.22 111.049 -173.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -107.59 136.91 46.55 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.599 -2.0 . . . . 75.23 105.599 165.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -76.37 146.79 38.51 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.859 0.361 . . . . 71.1 111.331 -170.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.2 m -66.29 138.65 96.01 Favored Pre-proline 0 CA--C 1.556 1.179 0 CA-C-N 115.034 -0.985 . . . . 53.01 109.738 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -50.14 88.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.503 2.802 . . . . 63.22 113.646 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -113.57 -78.27 0.58 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.682 0.793 . . . . 65.32 109.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.28 -79.83 0.56 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.13 0.572 . . . . 52.31 110.438 -172.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' ' 18' ' ' ASN . 11.0 tt0 -164.14 -169.01 1.71 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 109.666 -0.494 . . . . 75.54 109.666 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.53 ' H ' ' HG2' ' A' ' 17' ' ' GLU . 8.4 m-20 -61.99 145.45 92.92 Favored Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.877 1.271 . . . . 75.23 111.524 -174.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.93 -53.87 0.81 Allowed 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.489 2.126 . . . . 60.43 110.83 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.89 -78.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.567 1.147 . . . . 32.24 108.846 169.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -21.13 0.48 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.931 0.715 . . . . 71.04 112.931 -175.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.75 -20.01 65.42 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 124.054 0.942 . . . . 71.35 113.396 -173.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -99.44 20.45 13.77 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 123.922 0.889 . . . . 72.01 110.154 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 27.8 tp -55.55 131.55 71.18 Favored Pre-proline 0 N--CA 1.497 1.898 0 C-N-CA 124.051 0.94 . . . . 70.13 110.613 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.665 ' HG2' ' HB2' ' A' ' 34' ' ' ALA . 40.6 Cg_exo -58.13 140.5 94.36 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.209 2.606 . . . . 73.12 113.8 -172.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -125.21 121.43 34.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.291 1.036 . . . . 74.32 108.903 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 139.82 165.69 10.37 Favored Glycine 0 C--O 1.241 0.557 0 N-CA-C 110.736 -0.946 . . . . 51.41 110.736 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.98 -52.0 67.28 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.544 0.738 . . . . 52.42 110.786 -175.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 33' ' ' VAL . 4.5 tt -81.48 -36.7 14.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 CA-C-O 118.997 -0.525 . . . . 73.14 111.317 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 25' ' ' PRO . 40.5 mp0 -59.29 -39.56 83.35 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.462 0.705 . . . . 75.3 111.557 -169.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -71.54 -30.79 66.31 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 115.325 -0.852 . . . . 73.43 111.254 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.429 HE22 ' HB1' ' A' ' 72' ' ' ALA . 9.7 tt0 -76.39 -38.86 55.1 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.023 0.529 . . . . 73.41 110.694 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 92.9 t -63.08 -38.42 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.031 -0.729 . . . . 63.4 109.031 173.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . . . -59.59 -46.13 89.84 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 123.378 0.671 . . . . 71.3 110.933 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -59.81 -48.19 82.68 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 123.906 0.754 . . . . 65.11 110.71 177.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' ' 68' ' ' GLN . 91.3 mt -67.23 -34.72 78.05 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.759 0.824 . . . . 71.02 111.735 -176.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.458 ' HB2' HG21 ' A' ' 46' ' ' VAL . 20.0 m0 -71.85 -32.48 67.55 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 120.741 0.305 . . . . 72.34 110.213 175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HG3' HG22 ' A' ' 46' ' ' VAL . 80.4 mt-30 -75.25 -23.5 57.49 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.638 0.375 . . . . 60.33 111.712 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 35' ' ' ALA . 25.2 mm-40 -85.84 -63.66 1.28 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.593 0.357 . . . . 74.12 110.302 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.52 -51.78 64.05 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 125.14 1.376 . . . . 74.24 112.561 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 43' ' ' THR . 62.4 mt -79.96 -14.73 58.37 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.687 0.395 . . . . 74.03 111.269 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.0 m 62.96 46.36 4.88 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.479 1.112 . . . . 50.24 111.103 -178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.483 HG23 ' HB2' ' A' ' 41' ' ' LEU . 56.5 p -99.91 148.08 24.85 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.182 -0.917 . . . . 74.42 109.335 -178.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.5 -39.46 86.99 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 123.584 0.553 . . . . 64.52 112.3 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -158.28 139.51 13.33 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 123.395 0.678 . . . . 62.2 110.791 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 38' ' ' GLN . 30.1 m -127.3 144.27 37.89 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 C-N-CA 124.464 1.106 . . . . 61.44 108.994 170.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.5 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . 71.0 p -102.89 -176.27 3.04 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.663 1.185 . . . . 75.51 110.485 176.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -80.07 -20.39 45.29 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.616 -0.677 . . . . 75.14 111.5 -176.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HA ' HH21 ' A' ' 48' ' ' ARG . 12.2 pt-20 -91.08 1.48 57.05 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 122.945 0.498 . . . . 70.13 110.925 176.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 m -61.08 125.62 24.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 109.741 -0.466 . . . . 63.25 109.741 174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' HB2' ' HB3' ' A' ' 54' ' ' GLN . 4.3 m-20 -94.09 129.6 40.58 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.291 -1.003 . . . . 73.44 108.291 172.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -57.77 -54.23 49.19 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.119 0.887 . . . . 74.55 111.262 -173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -67.42 -40.03 85.51 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 114.884 -1.053 . . . . 72.24 111.319 -175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 51' ' ' ASP . 27.8 tt0 -65.55 -37.02 85.5 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.985 0.914 . . . . 74.21 111.624 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.43 -19.23 64.57 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.045 0.938 . . . . 65.5 110.907 -178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.1 3.03 9.05 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.257 0.456 . . . . 41.52 113.039 179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.22 143.44 31.89 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.477 0.163 . . . . 61.32 112.834 177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -100.87 167.22 10.42 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.462 0.705 . . . . 52.0 109.215 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.1 p -62.89 -40.1 96.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.865 0.866 . . . . 62.22 111.472 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.68 -42.47 98.03 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.339 0.655 . . . . 73.34 110.348 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.63 -32.58 74.3 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 123.993 0.917 . . . . 75.35 109.655 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.82 72.21 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.136 0.974 . . . . 72.13 111.575 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.4 m -67.58 -32.02 72.48 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.568 0.747 . . . . 61.44 110.102 176.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -75.67 -42.23 51.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.781 -0.645 . . . . 75.34 110.632 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' A' ' 37' ' ' TRP . 2.8 tm? -60.01 -45.84 91.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.658 0.783 . . . . 72.34 110.211 -177.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.443 HG22 ' HZ ' ' A' ' 90' ' ' PHE . 39.8 p -64.53 -37.46 87.63 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 115.344 -0.844 . . . . 73.01 111.073 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 71' ' ' GLN . . . -60.36 -38.01 94.02 Favored Glycine 0 C--N 1.347 1.153 0 O-C-N 124.233 0.958 . . . . 60.41 113.123 173.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB3' HD13 ' A' ' 36' ' ' LEU . 2.5 mp0 -67.42 -36.74 81.87 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.79 0.836 . . . . 65.31 110.647 176.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD21 HG22 ' A' ' 33' ' ' VAL . 73.3 mt -69.97 -29.34 66.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 116.51 -0.314 . . . . 74.44 111.526 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -62.9 -36.87 84.79 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.0 0.52 . . . . 74.05 110.482 175.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 72.5 mt-30 -68.33 -31.48 70.92 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 115.216 -0.902 . . . . 73.24 110.311 176.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' HE22 ' A' ' 32' ' ' GLN . . . -79.46 -1.73 38.75 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.215 1.006 . . . . 32.53 112.129 177.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.89 28.22 54.95 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.265 0.353 . . . . 61.24 112.813 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 87.9 m-85 -119.95 124.52 46.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.169 0.988 . . . . 71.23 108.995 174.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -77.27 124.89 28.47 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 107.516 -1.29 . . . . 64.5 107.516 175.737 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' HZ ' ' A' ' 90' ' ' PHE . . . -146.29 139.19 25.55 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.986 0.914 . . . . 75.3 109.387 -170.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -132.8 152.41 51.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.196 0.598 . . . . 65.53 111.069 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.55 -35.71 76.68 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.263 1.425 . . . . 45.24 108.849 177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.1 m -50.49 -46.07 56.77 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.6 1.16 . . . . 63.51 111.183 175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.88 -26.31 56.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.829 -1.078 . . . . 73.44 111.755 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.9 -30.79 64.2 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.001 0.521 . . . . 74.15 111.664 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -86.2 -38.5 17.57 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 109.714 -0.476 . . . . 71.45 109.714 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.06 -29.89 60.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.077 0.951 . . . . 71.43 110.851 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -133.04 79.03 63.8 Favored Pre-proline 0 N--CA 1.483 1.193 0 N-CA-C 108.321 -0.992 . . . . 72.2 108.321 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.67 -31.52 49.37 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 122.696 2.264 . . . . 72.15 114.176 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.84 151.77 38.06 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 121.31 0.576 . . . . 74.33 111.453 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.5 -51.02 69.08 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.061 -1.427 . . . . 71.12 111.035 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . . . -72.37 -38.4 68.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.998 0.519 . . . . 72.31 111.133 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -36.53 80.27 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.231 0.612 . . . . 74.44 110.846 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' HZ ' HG22 ' A' ' 66' ' ' THR . 31.7 t80 -75.66 -40.44 56.06 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.929 0.891 . . . . 71.35 110.916 176.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.44 75.52 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.356 0.662 . . . . 73.13 111.775 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -81.76 -36.07 28.93 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.487 0.715 . . . . 44.44 112.274 -176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.4 t -74.12 -26.37 60.3 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 116.398 -0.364 . . . . 63.43 111.975 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' GLU . 4.1 pp -85.93 155.01 21.09 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 109.993 -0.373 . . . . 72.11 109.993 -177.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -110.27 171.32 7.53 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.308 1.043 . . . . 74.4 109.02 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 74' ' ' TYR . 94.6 mttt -81.08 151.88 28.12 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 109.748 -0.464 . . . . 73.11 109.748 175.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -73.14 161.28 30.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.396 0.678 . . . . 64.33 110.053 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.32 146.63 53.09 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.675 0.39 . . . . 74.25 110.64 176.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.76 133.85 88.35 Favored Pre-proline 0 CA--C 1.555 1.145 0 N-CA-C 109.017 -0.734 . . . . 65.52 109.017 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -81.72 23.4 0.77 Allowed 'Trans proline' 0 C--N 1.37 1.676 0 C-N-CA 122.815 2.344 . . . . 64.13 113.76 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t 57.72 88.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 125.341 1.456 . . . . 63.41 110.316 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -112.85 1.86 15.69 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.669 0.788 . . . . 64.02 111.263 -174.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.17 140.42 24.96 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 108.306 -0.998 . . . . 71.11 108.306 171.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.63 -69.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.288 1.992 . . . . 74.21 112.026 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -142.76 -175.89 4.67 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.19 0.996 . . . . 74.34 109.369 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 32.1 t 55.97 83.84 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.803 1.241 . . . . 61.12 111.535 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -160.44 -32.03 0.06 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.757 0.823 . . . . 75.43 110.103 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.2 t 62.22 75.98 0.4 Allowed Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.188 1.395 . . . . 75.31 110.335 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.12 -53.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.381 2.27 0 C-N-CA 123.362 2.708 . . . . 74.14 113.182 -176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 56.34 -87.45 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.717 1.207 . . . . 73.22 110.68 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.949 0.9 . . . . 74.13 109.551 176.03 . . . . . . . . 0 0 . 1 stop_ save_