data_2n8g_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 2n8g _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.54 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.11 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 74.13 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 72.11 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.43 109.807 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 73.52 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 63.45 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.11 109.156 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.41 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.42 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 65.41 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.53 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.42 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 53.51 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.12 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.33 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 75.53 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.42 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 71.44 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.22 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 75.43 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.54 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.23 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 75.13 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 55.03 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.51 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 71.11 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.41 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.15 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 71.44 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 74.21 110.856 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.43 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 65.52 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 53.14 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.45 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.42 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.54 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.22 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 65.53 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.13 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.44 110.014 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 75.44 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 73.11 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 71.35 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.34 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.33 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.43 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 73.35 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 73.45 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 75.45 112.128 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.326 0.491 . . . . 71.52 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.52 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.31 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 71.5 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 55.41 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 63.41 110.263 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 74.22 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 75.31 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.14 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 74.43 111.537 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 75.54 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.44 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 75.14 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 74.54 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 73.55 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.34 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 74.25 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 71.52 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 74.23 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 74.2 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.44 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 74.34 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 71.0 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.05 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 74.3 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.53 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.44 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 60.01 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.13 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.52 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.54 110.811 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 74.34 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.12 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.04 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 71.13 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.12 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 72.22 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.13 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.12 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.13 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 72.55 109.659 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 70.41 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 73.14 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.24 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.15 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.43 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.15 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.21 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.22 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.55 113.075 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.914 0.387 . . . . 73.51 111.8 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 73.11 106.026 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.4 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 72.52 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.34 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.52 109.907 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 75.53 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.1 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.41 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.2 111.572 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 75.23 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.22 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 60.34 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.24 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 71.11 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 73.51 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.33 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 72.12 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 63.51 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.44 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 75.42 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.14 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.44 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.53 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.11 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 74.5 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 75.24 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.4 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 71.13 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 75.54 111.33 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 75.44 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 74.14 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.52 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.43 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 74.51 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 74.33 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.32 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 71.24 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 73.51 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.22 109.819 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 74.54 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 74.14 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.14 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 75.44 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 63.55 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.31 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.11 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.55 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.02 111.447 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.2 -0.296 . . . . 61.44 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 74.12 104.49 162.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 72.13 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.33 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 72.22 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 72.0 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.23 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 75.42 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.22 111.054 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.13 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 74.02 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 71.43 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 75.42 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.23 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.32 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 75.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 74.2 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.51 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 72.32 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.34 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 73.41 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 74.51 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.42 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 74.53 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.51 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 74.54 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 74.21 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.24 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.44 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 73.02 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.4 110.236 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 74.31 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 74.12 108.275 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.51 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.53 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.34 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 73.31 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 72.2 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.4 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 72.41 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.21 110.37 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.53 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 64.44 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 61.12 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.03 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 74.12 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.42 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 74.34 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 75.31 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.54 112.276 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 113.704 1.001 . . . . 73.14 113.704 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.45 108.021 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 72.33 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.42 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 72.21 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 71.11 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 75.02 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 75.24 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 74.14 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.22 110.858 163.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.35 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.43 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.23 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 75.31 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.41 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.23 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 74.31 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 74.45 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.44 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.32 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.24 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 74.14 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.23 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.15 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.03 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 72.23 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.35 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.42 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.14 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.22 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 71.35 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 60.13 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 75.42 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 75.25 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.31 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 72.35 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.12 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.31 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 73.34 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 72.25 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.43 110.446 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.33 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.41 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.43 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.14 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.43 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 65.25 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.34 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.24 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.01 111.957 -173.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.54 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 74.2 106.248 166.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 75.1 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 74.21 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.41 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 74.5 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.33 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 64.44 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.54 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 71.22 112.258 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.3 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 74.44 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.51 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 74.31 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 73.31 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.13 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 75.3 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 74.53 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 75.34 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 74.5 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 55.11 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.34 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 64.34 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 72.44 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 75.4 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.51 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 73.11 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.2 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.22 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 71.1 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.54 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 73.33 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 72.4 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.51 109.767 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 72.53 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.23 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.34 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 73.31 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 75.12 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.32 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.3 110.459 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.34 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.42 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.33 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 73.03 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 72.05 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.12 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 75.44 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 74.15 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 75.34 112.803 -179.416 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 115.205 1.557 . . . . 74.41 115.205 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.43 105.563 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.44 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.35 112.51 -175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.43 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.42 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 73.32 112.97 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 62.41 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.02 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.31 112.211 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 74.12 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.44 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 74.01 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.44 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 72.22 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.23 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 75.42 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.01 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.52 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.34 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.41 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 62.44 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 75.14 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 64.03 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 75.4 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.23 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 63.31 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.24 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.32 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.43 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.44 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.1 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 63.13 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 63.52 107.841 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.24 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.2 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 74.32 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 72.53 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.3 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.4 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.51 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 71.24 110.44 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.44 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 63.22 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE2' ' HE2' ' A' ' 61' ' ' LYS . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 75.21 109.896 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 75.54 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 74.54 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 58' ' ' GLU . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 71.44 110.25 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.31 110.119 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 73.43 114.153 173.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 109.619 -0.511 . . . . 73.33 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.13 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.22 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 73.52 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.45 109.447 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.44 112.997 174.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 74.54 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.42 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 73.51 113.42 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.34 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 73.53 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 73.22 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.22 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 73.34 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.54 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.44 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 74.25 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.21 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 75.44 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.453 ' H ' ' HG2' ' A' ' 36' ' ' GLU . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.14 108.676 163.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 74.32 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.35 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 73.32 108.27 -179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.44 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.32 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.33 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.01 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.35 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 71.05 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 72.25 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 75.42 110.932 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.14 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 75.01 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 72.31 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.44 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.01 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.31 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.12 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 74.33 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.24 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.41 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 71.31 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.42 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.53 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.45 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.32 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 75.13 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 74.53 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 75.52 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.22 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 75.23 113.318 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 121.212 0.53 . . . . 75.32 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 74.41 104.33 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 64.54 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.4 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.41 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 73.2 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.41 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.34 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.51 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.43 110.919 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 75.42 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 74.3 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.34 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.43 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.43 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 71.31 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 73.45 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.32 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.24 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.23 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 72.21 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 75.03 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.24 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.41 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.01 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 72.32 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.11 110.367 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 73.0 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 74.52 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 75.54 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.44 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 75.11 110.754 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 72.21 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.1 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 75.22 109.991 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.43 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.02 110.359 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.24 110.322 -175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.21 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 64.11 110.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.31 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 73.42 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 73.03 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.24 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.42 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 64.12 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 74.32 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.43 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt . . . . . 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.31 112.39 -172.901 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.771 0.319 . . . . 74.02 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.44 106.665 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.44 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.33 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.3 108.323 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 75.03 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 74.31 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.33 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.32 112.235 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.42 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.33 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' CD ' ' HZ2' ' A' ' 29' ' ' LYS . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 74.31 112.557 -175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.34 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.33 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.02 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HZ2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.14 109.03 -173.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 74.31 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 74.41 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 75.34 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.02 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 65.24 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.03 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 65.04 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.43 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.3 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 74.3 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.42 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 74.4 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.01 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 75.12 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.43 109.548 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.23 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 64.14 110.269 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 72.2 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.42 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.44 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 63.33 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.41 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 74.34 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.41 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 64.41 110.847 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 75.12 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 74.14 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.23 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 75.05 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 74.32 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.41 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 61.24 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.33 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.43 113.544 179.5 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 74.45 108.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.33 106.23 173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 75.44 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.33 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 74.45 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 74.11 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 75.15 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.32 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.31 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.23 110.935 170.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 71.32 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 74.41 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.21 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.35 113.22 -173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 74.32 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 72.21 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.12 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 71.52 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 73.33 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.45 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.23 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.31 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.11 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.45 110.745 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 74.34 113.809 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 71.11 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.31 108.963 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 71.05 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 74.45 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.21 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 73.03 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.11 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.43 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 74.45 109.693 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.12 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.44 111.774 172.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.45 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.45 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 74.53 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.42 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 74.14 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 74.45 109.499 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.14 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.23 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 71.13 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.55 109.06 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 72.43 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.14 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 74.34 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.54 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 73.3 113.115 176.007 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 119.697 -0.192 . . . . 70.14 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.34 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.43 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.22 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.53 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 75.52 108.379 -174.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 74.53 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 74.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 75.32 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 74.23 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 75.32 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 75.15 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.14 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.41 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 75.53 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.34 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 75.25 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.33 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.23 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.42 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 61.32 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.45 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 74.24 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 75.41 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 72.35 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 75.32 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.44 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 74.53 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.45 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 74.53 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.51 111.802 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 74.32 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.54 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 72.52 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.53 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.03 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 74.24 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 74.54 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.35 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 74.14 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.54 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.22 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 75.45 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 74.45 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 74.21 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 73.23 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 75.01 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.13 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.21 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.45 113.309 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.443 0.639 . . . . 74.1 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 71.23 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.31 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.14 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 63.14 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.14 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.03 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 72.43 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.14 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.21 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 74.43 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.2 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.34 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 73.0 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 74.13 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.21 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.33 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.51 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 74.14 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.34 108.941 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.4 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 73.22 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 74.44 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.21 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.01 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.11 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 71.02 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.12 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 74.1 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.43 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 74.23 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.13 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 63.22 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.03 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 74.41 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 74.02 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.03 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 74.34 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 74.53 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.02 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.1 111.054 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 64.44 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 74.13 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 73.34 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.53 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.12 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.4 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 74.22 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.2 113.819 176.301 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 113.112 0.782 . . . . 73.44 113.112 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 73.52 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 74.55 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.51 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.35 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.24 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 74.45 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 72.31 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 63.14 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.55 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 75.45 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 75.41 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 75.35 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.33 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 72.23 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 63.32 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.55 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.44 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.04 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 74.44 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.42 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.24 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.13 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.34 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 75.32 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 75.55 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 73.11 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 75.51 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 75.31 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 75.14 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 73.54 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 75.51 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.44 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 75.11 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.34 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 64.23 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.41 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.23 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 60.12 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.04 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.41 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.43 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.52 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 74.03 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.04 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 74.21 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.33 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.22 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 75.53 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.45 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.24 112.394 178.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 70.23 107.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 72.3 104.402 168.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.44 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.14 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.41 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 71.24 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.3 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.51 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.43 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 75.31 112.155 171.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 74.32 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 74.1 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.32 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.44 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 72.33 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.11 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 75.2 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.31 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 72.11 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.11 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 62.02 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.45 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.44 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.01 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.42 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.55 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 75.14 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 62.41 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.42 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.14 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 72.51 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.52 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 74.33 110.562 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.44 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 72.02 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 73.23 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.32 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 72.11 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.23 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 75.32 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.4 109.947 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 75.33 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.34 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.32 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.22 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.11 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.3 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.13 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.4 113.567 171.197 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 109.77 -0.455 . . . . 61.01 109.77 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 65.11 105.879 164.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 54.31 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 74.43 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.33 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 74.35 109.135 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.33 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.13 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.43 109.528 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.43 112.776 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.05 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 72.41 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 74.42 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 73.15 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 73.05 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.43 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.24 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 73.11 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.35 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 72.44 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 75.45 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 73.34 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.44 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.44 109.415 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.31 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 72.43 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.45 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 71.12 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.03 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.03 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.24 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.44 111.519 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 74.23 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.04 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 72.23 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.21 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 74.24 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 73.33 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.22 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 74.22 110.246 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.34 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.43 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.41 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.44 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.03 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.43 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.31 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.3 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.02 113.561 172.573 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 114.216 1.191 . . . . 65.41 114.216 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.43 104.761 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.44 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 74.01 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 74.11 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 74.23 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.44 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 75.3 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 72.32 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.44 112.605 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 73.13 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.31 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.11 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 73.01 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.43 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.34 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 74.23 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.42 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 74.44 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.14 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 74.32 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.22 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.01 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.42 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 71.21 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.23 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 73.2 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 73.23 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 73.41 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.31 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.01 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 74.03 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.23 110.316 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.04 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.11 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.54 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 73.44 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 74.2 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 73.41 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.43 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 74.01 109.434 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 73.44 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 74.14 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 72.44 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.34 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.22 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 74.5 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 73.43 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 72.12 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 74.33 112.121 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.444 -0.576 . . . . 71.13 109.444 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.32 104.833 160.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 64.41 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.55 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.32 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.44 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.44 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.45 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.23 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.24 111.159 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 75.52 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 75.22 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.31 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 72.52 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 74.41 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 73.31 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 70.31 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.15 112.193 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.45 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 73.42 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.32 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.23 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.34 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.23 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 75.01 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.33 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.32 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.15 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.31 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 75.03 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 71.25 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 72.12 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 74.22 110.323 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.43 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.22 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.05 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.44 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.24 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 75.13 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 71.43 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 74.41 110.137 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 75.24 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.52 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.14 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 75.13 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.35 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.41 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 74.52 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 73.25 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.55 113.597 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 114.622 1.341 . . . . 74.21 114.622 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.43 107.021 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.32 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.34 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 75.5 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 74.32 110.099 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 75.34 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 74.2 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.53 109.546 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.31 111.041 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.53 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 75.35 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.35 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.35 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 73.51 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.51 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.32 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.41 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 74.01 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 73.22 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.42 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.01 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.34 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 74.51 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.35 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 75.25 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.22 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.35 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 73.13 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 74.34 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.41 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.2 110.972 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.53 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 73.44 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 75.4 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.04 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.43 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.4 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.43 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 74.34 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.31 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.44 109.684 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 72.35 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 74.14 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.04 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.51 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.54 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 73.43 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.45 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.53 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.44 112.89 176.402 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.459 0.171 . . . . 60.43 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 64.34 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 75.31 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.32 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.43 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 74.25 108.598 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 75.41 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.14 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.34 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.41 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.33 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 75.43 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.03 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 74.44 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 71.13 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.1 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.34 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.2 113.798 167.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.11 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.2 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.474 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 75.12 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.24 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 63.31 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.1 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.11 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 74.34 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.31 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 74.31 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 72.34 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.41 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 73.05 110.836 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.32 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 75.24 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.33 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 74.12 109.581 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.15 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 74.31 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 73.45 109.998 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 75.35 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.405 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.34 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.23 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.43 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.11 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.42 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 71.3 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.54 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.12 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.14 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt . . . . . 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 74.41 113.394 170.182 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 111.51 -0.636 . . . . 74.21 111.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.83 71.84 1.43 Allowed Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 125.661 1.584 . . . . 55.45 110.654 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -78.31 94.69 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.585 2.857 . . . . 72.12 109.332 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 -74.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.945 -1.662 . . . . 53.22 108.945 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.31 -173.36 34.17 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.844 1.211 . . . . 63.25 110.465 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.7 38.03 29.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.027 0.931 . . . . 73.25 111.377 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 m -121.42 169.79 10.28 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.055 1.342 . . . . 63.13 111.178 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -77.83 73.31 4.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.801 -1.187 . . . . 74.12 110.059 169.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.24 88.85 4.29 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.528 -1.357 . . . . 73.23 109.922 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 47.21 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.046 2.138 . . . . 72.14 113.922 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -137.81 167.26 22.09 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.645 . . . . 75.42 106.927 165.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.75 166.94 22.4 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.605 -0.887 . . . . 61.11 108.605 160.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.27 84.87 2.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 169.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.54 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.11 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 74.13 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 72.11 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.43 109.807 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 73.52 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 63.45 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.11 109.156 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.41 111.437 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.42 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 65.41 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.53 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.42 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 53.51 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.12 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.33 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 75.53 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.42 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 71.44 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.22 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 75.43 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.54 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.23 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 75.13 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 55.03 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.51 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 71.11 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.41 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.15 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 71.44 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 74.21 110.856 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.43 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 65.52 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 53.14 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.45 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.42 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.54 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.22 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 65.53 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.13 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.44 110.014 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 75.44 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 73.11 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 71.35 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.34 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.33 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.43 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 73.35 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 73.45 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -36.47 67.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 75.45 112.128 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -64.56 -21.89 66.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.123 0.874 . . . . 62.44 112.311 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.9 mt -71.33 -22.91 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.164 1.385 . . . . 75.24 110.967 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -69.58 87.34 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.227 1.376 . . . . 74.35 108.891 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.99 -57.88 9.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 128.114 2.565 . . . . 75.14 111.686 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.96 72.74 1.56 Allowed Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.877 -1.689 . . . . 61.41 108.877 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.23 16.55 1.52 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.076 1.75 . . . . 73.41 109.686 169.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.76 -14.73 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.296 1.438 . . . . 72.13 110.899 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 126.793 2.037 . . . . 75.53 111.596 -164.17 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 108.672 -1.771 . . . . 53.24 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.55 146.7 36.57 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 107.696 -1.224 . . . . 70.4 107.696 159.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -63.71 139.5 69.53 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.792 1.661 . . . . 74.4 113.574 -166.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -169.87 22.77 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 127.422 2.439 . . . . 75.32 107.719 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -9.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.884 1.114 . . . . 40.54 115.884 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.97 160.41 40.05 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.119 1.959 . . . . 62.23 109.57 172.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -134.42 126.7 30.05 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.406 -1.331 . . . . 72.21 107.406 -169.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.14 162.94 13.44 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.331 0.652 . . . . 75.23 110.249 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 15.17 1.35 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.469 0.914 . . . . 74.12 113.469 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -94.72 167.02 11.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.275 0.943 . . . . 74.51 108.986 169.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -61.25 158.96 13.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.041 1.336 . . . . 75.44 109.741 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.12 162.7 24.03 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.523 1.129 . . . . 72.3 110.441 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 94.68 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.151 1.78 . . . . 71.52 112.326 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.52 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.31 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 71.5 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 55.41 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 63.41 110.263 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 74.22 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 75.31 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.14 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 74.43 111.537 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 75.54 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.44 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 75.14 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 74.54 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 73.55 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.34 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 74.25 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 71.52 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 74.23 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 74.2 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.44 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 74.34 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 71.0 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.05 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 74.3 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.53 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.44 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 60.01 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.13 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.52 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.54 110.811 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 74.34 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.12 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.04 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 71.13 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.12 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 72.22 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.13 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.12 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.13 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 72.55 109.659 175.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 70.41 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 73.14 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.24 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.15 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.43 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.15 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.21 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.22 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -18.82 63.74 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.55 113.075 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -80.93 -28.71 35.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 120.561 1.528 . . . . 75.44 113.145 164.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -74.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.646 -1.613 . . . . 75.15 106.646 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt 44.91 12.7 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.392 2.277 . . . . 74.54 115.71 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.36 29.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 119.473 1.033 . . . . 74.51 109.089 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.99 58.52 4.36 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.095 -0.802 . . . . 64.44 111.095 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -123.47 37.24 4.46 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.695 1.198 . . . . 72.35 107.921 161.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.328 9.2 p 45.13 38.05 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 127.85 2.46 . . . . 75.25 112.457 -171.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.635 1.974 . . . . 72.45 107.694 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 108.365 -1.894 . . . . 54.22 108.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.78 66.83 13.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 117.842 0.821 . . . . 71.31 109.743 169.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.28 -13.01 18.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.754 2.303 . . . . 71.15 112.468 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 85.55 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 107.354 -2.299 . . . . 60.25 107.354 -170.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.1 93.65 0.34 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.862 -1.695 . . . . 74.34 108.862 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -110.23 64.24 0.61 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.182 0.993 . . . . 75.43 108.458 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 p -135.12 71.16 1.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.655 1.182 . . . . 72.54 109.553 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -84.43 100.52 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.0 1.72 . . . . 74.43 107.395 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -96.69 143.32 27.75 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 107.316 -1.364 . . . . 74.43 107.316 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 44.57 66.39 0.88 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.249 2.22 . . . . 72.23 110.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -64.86 99.89 0.37 Allowed 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.084 0.954 . . . . 73.54 109.68 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -98.43 26.45 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.447 1.099 . . . . 72.31 111.299 170.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.04 34.23 7.09 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.296 -0.878 . . . . 73.51 111.8 164.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 73.11 106.026 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.4 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 72.52 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.34 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.52 109.907 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 75.53 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.1 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.41 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.2 111.572 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 75.23 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.22 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 60.34 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.24 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 71.11 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 73.51 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.33 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 72.12 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 63.51 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.44 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 75.42 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.14 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.44 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.53 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.11 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 74.5 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 75.24 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.4 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 71.13 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 75.54 111.33 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 75.44 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 74.14 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.52 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.43 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 74.51 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 74.33 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.32 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 71.24 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 73.51 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.22 109.819 177.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 74.54 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 74.14 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.14 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 75.44 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 63.55 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.31 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.11 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.55 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -57.94 -35.78 71.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.02 111.447 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -63.91 -11.91 32.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.716 1.006 . . . . 74.34 113.716 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -83.14 -16.35 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.772 1.229 . . . . 74.03 110.867 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -71.61 78.09 0.81 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 107.423 -1.325 . . . . 73.44 107.423 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.66 32.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.485 1.514 . . . . 63.33 108.815 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.45 12.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 CA-C-O 117.073 -1.959 . . . . 75.14 115.019 170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -152.26 21.9 0.65 Allowed 'General case' 0 C--N 1.34 0.189 0 CA-C-N 121.651 2.725 . . . . 63.02 112.082 -166.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.57 -12.91 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 126.462 1.905 . . . . 75.03 113.271 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.277 -1.344 . . . . 75.01 109.536 175.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 N-CA-C 110.554 -1.018 . . . . 63.31 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.55 144.38 0.1 Allowed Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 128.607 2.763 . . . . 74.0 110.415 -161.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.73 176.08 10.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.542 2.161 . . . . 73.41 111.035 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 32.14 0.09 OUTLIER Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.58 1.086 . . . . 73.14 111.161 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.7 -163.38 27.05 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 127.007 2.241 . . . . 72.53 111.181 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 47.59 29.81 1.55 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.763 2.025 . . . . 72.22 113.587 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 p -152.81 170.76 19.51 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 125.486 1.515 . . . . 70.21 110.477 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -114.7 172.33 7.1 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.471 1.508 . . . . 74.4 107.181 161.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -120.16 96.12 5.03 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.503 -0.748 . . . . 74.13 109.589 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 44.68 72.84 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.778 2.431 . . . . 75.14 111.512 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 74.82 1.61 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.484 0.314 . . . . 74.11 110.229 -172.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 172.18 13.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.961 -0.755 . . . . 73.4 108.961 168.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.92 3.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.118 0.967 . . . . 61.44 110.2 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 74.12 104.49 162.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 72.13 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.33 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 72.22 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 72.0 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.23 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 75.42 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.22 111.054 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.13 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 74.02 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 71.43 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 75.42 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.23 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.32 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 75.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 74.2 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.51 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 72.32 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.34 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 73.41 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 74.51 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.42 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 74.53 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.51 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 74.54 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 74.21 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.24 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.44 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 73.02 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.4 110.236 -171.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 74.31 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 74.12 108.275 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.51 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.53 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.34 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 73.31 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 72.2 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.4 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 72.41 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.21 110.37 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.53 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 64.44 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 61.12 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.03 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 74.12 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.42 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 74.34 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 75.31 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.93 -38.11 69.86 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.54 112.276 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -63.49 -22.45 66.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.056 1.753 . . . . 71.21 112.701 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.89 -10.52 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.34 1.456 . . . . 72.13 111.227 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.42 70.34 0.17 Allowed 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.332 -1.48 . . . . 75.4 108.62 167.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -23.1 66.54 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.298 -0.876 . . . . 71.13 112.817 -172.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 53.79 4.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.168 -1.173 . . . . 75.21 110.168 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.75 10.13 3.37 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.904 1.352 . . . . 74.1 112.634 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.5 m 44.45 55.38 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 127.651 2.38 . . . . 73.2 111.124 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.606 -1.664 . . . . 71.43 111.073 -166.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.587 0 N-CA-C 108.994 -1.642 . . . . 73.21 108.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.6 80.85 0.41 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.098 -1.445 . . . . 71.25 107.098 164.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.67 164.93 29.63 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.552 2.835 . . . . 72.44 110.758 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 156.81 27.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 108.04 -2.024 . . . . 71.23 108.04 167.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.88 147.2 12.5 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 110.307 -1.117 . . . . 74.34 110.307 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -133.48 77.18 1.71 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 125.413 1.485 . . . . 75.14 107.876 -167.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 154.35 21.17 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.303 -0.999 . . . . 72.33 108.303 165.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.19 -164.34 1.97 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.739 1.616 . . . . 73.43 109.041 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 61.88 16.69 8.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.498 1.519 . . . . 75.44 114.07 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -157.21 42.34 0.33 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.183 0.993 . . . . 72.35 110.226 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.35 153.56 25.61 Favored 'General case' 0 C--N 1.333 -0.123 0 O-C-N 120.53 -1.356 . . . . 73.04 108.699 169.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 161.46 15.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.975 -0.38 . . . . 74.15 109.975 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.18 59.9 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.271 1.828 . . . . 73.14 113.704 -170.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.45 108.021 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 72.33 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.42 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 72.21 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 71.11 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 75.02 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 75.24 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 74.14 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.22 110.858 163.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.35 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.43 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.23 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 75.31 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.41 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.23 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 74.31 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 74.45 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.44 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.32 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.24 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 74.14 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.23 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.15 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.03 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 72.23 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.35 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.42 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.14 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.22 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 71.35 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 60.13 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 75.42 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 75.25 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.31 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 72.35 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.12 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.31 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 73.34 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 72.25 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.43 110.446 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.33 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.41 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.43 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.14 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.43 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 65.25 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.34 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.24 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -53.03 -40.29 63.81 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.01 111.957 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.263 4.7 ptt180 -59.53 -28.47 67.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.537 0.94 . . . . 72.33 113.537 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.0 -28.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.693 1.197 . . . . 74.41 111.151 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -54.26 -21.63 9.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.897 0.879 . . . . 74.21 112.595 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 73.77 83.55 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.729 2.411 . . . . 73.24 109.271 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.3 36.71 2.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 123.685 0.66 . . . . 72.42 111.707 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -159.84 47.37 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.128 2.171 . . . . 74.05 107.186 -167.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.45 1.34 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 123.561 0.745 . . . . 73.15 109.854 164.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.247 0.96 0 C-N-CA 127.479 2.312 . . . . 74.25 107.737 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 CA-C-O 119.395 -0.669 . . . . 61.25 111.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.07 66.98 4.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.932 2.093 . . . . 65.55 112.756 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -71.0 162.0 44.2 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.164 1.909 . . . . 64.15 110.667 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.76 100.41 2.58 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.026 -2.03 . . . . 75.14 108.026 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.2 170.78 20.88 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.615 1.102 . . . . 74.02 111.213 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.82 174.63 2.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.54 0.67 . . . . 73.54 111.411 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -130.04 16.98 5.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.46 1.104 . . . . 74.03 113.471 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 ttm105 -134.75 167.7 20.37 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.36 -0.837 . . . . 71.45 109.719 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 45.5 28.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.009 1.324 . . . . 72.24 110.207 -166.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -76.44 32.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.656 1.182 . . . . 73.42 111.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -146.37 148.41 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.577 2.351 . . . . 73.14 105.153 170.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -125.39 159.73 31.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.663 -1.236 . . . . 74.14 107.663 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 95.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.54 109.006 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 74.2 106.248 166.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 75.1 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 74.21 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.41 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 74.5 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.33 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 64.44 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.54 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 71.22 112.258 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.3 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 74.44 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.51 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 74.31 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 73.31 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.13 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 75.3 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 74.53 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 75.34 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 74.5 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 55.11 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.34 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 64.34 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 72.44 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 75.4 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.51 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 73.11 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.2 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.22 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 71.1 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.54 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 73.33 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 72.4 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.51 109.767 175.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 72.53 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.23 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.34 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 73.31 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 75.12 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.32 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.3 110.459 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.34 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.42 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.33 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 73.03 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 72.05 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.12 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 75.44 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 74.15 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -56.27 -21.86 26.38 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 75.34 112.803 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -77.95 -10.98 59.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.279 1.4 . . . . 64.42 113.527 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.23 -19.68 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.671 1.588 . . . . 73.12 110.949 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 82.06 0.74 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.95 -0.759 . . . . 75.41 108.95 -175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.42 81.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.623 1.569 . . . . 74.45 109.278 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.64 -26.49 9.48 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 126.654 2.073 . . . . 64.32 111.448 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.93 19.69 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 128.786 2.834 . . . . 64.34 113.314 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -74.0 3.97 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.129 0.571 . . . . 74.14 111.06 166.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.261 1.424 . . . . 73.03 109.402 -153.38 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 109.779 -1.328 . . . . 61.43 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.06 68.41 75.99 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 118.285 1.042 . . . . 54.32 110.317 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 155.15 44.44 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.012 2.474 . . . . 73.42 112.435 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 -101.25 0.7 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.72 -2.152 . . . . 74.05 107.72 168.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.85 98.04 0.13 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.865 -1.294 . . . . 72.32 109.865 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -66.4 -18.84 65.59 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.159 0.98 . . . . 75.14 111.679 166.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -163.21 102.2 0.97 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.049 1.339 . . . . 75.05 107.545 161.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.08 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.91 1.684 . . . . 75.05 113.279 154.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -114.98 -5.03 12.51 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.205 1.557 . . . . 73.13 115.205 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -142.3 87.57 2.03 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 63.45 107.773 -172.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -90.94 3.64 54.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.888 1.44 . . . . 73.04 114.888 -166.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.61 -175.51 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 125.497 1.519 . . . . 74.14 108.62 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.77 34.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.171 2.588 . . . . 74.41 115.205 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.43 105.563 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.44 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.35 112.51 -175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.43 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.42 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 73.32 112.97 176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 62.41 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.02 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.31 112.211 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 74.12 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.44 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 74.01 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.44 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 72.22 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.23 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 75.42 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.01 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.52 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.34 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.41 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 62.44 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 75.14 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 64.03 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 75.4 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.23 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 63.31 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.24 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.32 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.43 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.44 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.1 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 63.13 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 63.52 107.841 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.24 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.2 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 74.32 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 72.53 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.3 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.4 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.51 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 71.24 110.44 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.44 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 63.22 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' OE2' ' HE2' ' A' ' 61' ' ' LYS . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 75.21 109.896 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 75.54 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 74.54 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 58' ' ' GLU . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 71.44 110.25 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.31 110.119 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -6.41 21.17 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 73.43 114.153 173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -86.86 -20.6 27.24 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.785 1.629 . . . . 73.34 112.441 166.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.64 -35.59 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.351 1.06 . . . . 72.01 110.939 -176.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 62.62 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.761 2.824 . . . . 63.15 115.096 -171.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.52 85.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 72.22 113.681 -160.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 74.75 0.44 Allowed Glycine 0 CA--C 1.524 0.626 0 O-C-N 124.646 1.216 . . . . 75.04 110.161 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -158.52 26.4 0.24 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.555 2.742 . . . . 62.44 109.469 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.77 -17.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.746 -0.597 . . . . 63.22 111.475 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.247 0.974 0 C-N-CA 127.003 2.121 . . . . 75.24 108.234 177.298 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.693 0 N-CA-C 109.25 -1.54 . . . . 52.41 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.3 69.91 61.53 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 118.556 1.178 . . . . 63.21 111.672 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.51 178.6 4.25 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.376 2.051 . . . . 75.51 112.513 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.37 86.09 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 107.309 -2.316 . . . . 75.53 107.309 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.18 -174.96 52.98 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 117.56 0.68 . . . . 73.42 111.59 -173.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -54.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.743 1.217 . . . . 73.54 109.172 165.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m 58.53 4.97 0.4 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.357 2.263 . . . . 64.12 115.177 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.65 138.61 42.99 Favored 'General case' 0 C--N 1.341 0.224 0 O-C-N 120.177 -1.577 . . . . 75.35 110.249 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 75.11 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 127.552 2.341 . . . . 73.52 113.121 156.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 146.49 3.42 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.863 1.665 . . . . 75.51 111.935 -177.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -121.81 -173.25 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.081 1.752 . . . . 73.33 109.79 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 155.92 17.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.833 -1.173 . . . . 75.12 107.833 164.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 101.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.73 1.212 . . . . 73.33 109.619 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.13 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.22 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 73.52 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.45 109.447 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' CD2' ' HE1' ' A' ' 54' ' ' TRP . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.44 112.997 174.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 74.54 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.42 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 73.51 113.42 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.34 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 73.53 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 73.22 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.22 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 73.34 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.54 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.44 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 74.25 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.21 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 75.44 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.453 ' H ' ' HG2' ' A' ' 36' ' ' GLU . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.14 108.676 163.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 74.32 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.35 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 73.32 108.27 -179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.44 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.32 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.33 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.01 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.35 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 71.05 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 72.25 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 75.42 110.932 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.14 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 75.01 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 72.31 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.44 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.01 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.31 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.12 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 74.33 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.24 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.41 ' HE1' ' CD2' ' A' ' 19' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 71.31 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.42 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.53 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.45 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.32 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 75.13 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 74.53 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 75.52 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.22 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -24.13 63.72 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 75.23 113.318 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.6 -24.94 58.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.289 1.404 . . . . 75.32 112.647 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -72.59 -16.1 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 125.414 1.485 . . . . 75.44 110.261 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.24 -9.37 2.14 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.274 -1.516 . . . . 72.33 112.885 169.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 44.74 79.14 0.05 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 127.863 2.465 . . . . 73.13 110.635 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.65 80.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 109.238 -1.545 . . . . 34.24 109.238 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -148.51 37.9 0.84 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.3 1.44 . . . . 55.15 110.388 169.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.264 33.0 m 51.94 29.65 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.349 1.86 . . . . 71.14 113.445 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 105.333 -2.099 . . . . 61.52 105.333 176.379 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 N-CA-C 110.178 -1.169 . . . . 52.23 110.178 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.33 152.73 58.0 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 125.296 1.438 . . . . 74.2 109.03 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.71 170.79 19.47 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.818 2.345 . . . . 73.23 111.589 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.61 -11.7 1.88 Allowed Glycine 0 CA--C 1.531 1.037 0 CA-C-O 117.898 -1.501 . . . . 64.43 114.427 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.1 103.62 0.9 Allowed Glycine 0 C--N 1.341 0.832 0 CA-C-N 120.488 2.144 . . . . 70.12 112.904 -163.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -157.29 41.17 0.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.052 1.341 . . . . 74.41 112.241 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -134.06 159.08 41.88 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.016 -1.052 . . . . 53.12 111.125 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -111.49 132.24 54.63 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.62 -1.252 . . . . 75.21 107.62 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -157.84 173.49 16.72 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.597 -1.26 . . . . 73.3 107.597 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -125.84 4.33 7.36 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.215 1.006 . . . . 64.24 112.269 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.84 -178.64 6.13 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 127.284 2.234 . . . . 75.03 105.39 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 m -132.04 166.2 22.26 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.996 -1.853 . . . . 72.13 105.996 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 85.43 0.39 Allowed 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.75 0.705 . . . . 75.32 110.04 -176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 74.41 104.33 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 64.54 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.4 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.41 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 73.2 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.41 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.34 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.51 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.43 110.919 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 75.42 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 74.3 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.34 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.43 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.43 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 71.31 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD2' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 73.45 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.32 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.24 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.23 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 72.21 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 75.03 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.24 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.41 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.01 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 72.32 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.11 110.367 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 73.0 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 74.52 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 75.54 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.44 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 75.11 110.754 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 72.21 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.1 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 75.22 109.991 -169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.43 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.02 110.359 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.24 110.322 -175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.21 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 64.11 110.274 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.31 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 73.42 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 73.03 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.24 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.42 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 64.12 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 74.32 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.43 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -54.08 -40.26 67.05 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.31 112.39 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -55.28 -35.42 65.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.502 0.927 . . . . 72.43 113.502 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.72 -24.39 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.809 1.644 . . . . 72.11 111.231 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -64.17 -11.42 30.43 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.536 -1.353 . . . . 75.03 111.725 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.99 -58.41 0.57 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 130.222 3.409 . . . . 74.02 109.592 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 -169.17 32.95 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.181 -1.168 . . . . 75.31 110.181 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 49.73 44.16 24.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.41 1.484 . . . . 74.24 113.48 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t 54.78 34.05 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.395 1.478 . . . . 75.01 111.224 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.252 1.196 0 C-N-CA 128.053 2.541 . . . . 74.34 109.833 179.05 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 108.738 -1.745 . . . . 74.04 108.738 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 165.14 14.12 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 117.676 0.738 . . . . 61.41 109.544 161.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.9 170.41 10.27 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.468 2.112 . . . . 74.04 110.481 161.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.23 56.25 0.48 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.641 -1.384 . . . . 63.45 109.641 -173.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.83 120.56 0.14 Allowed Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.446 1.022 . . . . 44.32 111.226 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -137.54 45.74 2.16 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.514 -0.992 . . . . 73.33 112.8 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.48 158.12 41.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 74.0 110.985 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 174.35 147.36 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.09 3.356 . . . . 74.22 107.796 166.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -154.62 78.79 1.08 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.361 -0.978 . . . . 74.32 108.361 163.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -133.77 127.04 31.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.422 1.489 . . . . 73.32 109.616 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 45.56 84.07 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 127.554 2.342 . . . . 75.01 110.208 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 163.52 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.546 1.938 . . . . 72.32 111.645 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 95.19 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.726 1.61 . . . . 74.02 110.299 164.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.44 106.665 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.44 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.33 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.3 108.323 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 75.03 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 74.31 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.33 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.32 112.235 175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.42 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.33 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' CD ' ' HZ2' ' A' ' 29' ' ' LYS . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 74.31 112.557 -175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.34 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.33 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.02 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HZ2' ' CD ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.14 109.03 -173.848 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 74.31 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 74.41 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 75.34 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.02 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 65.24 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.03 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 65.04 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.43 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.3 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 74.3 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.42 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 74.4 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.01 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 75.12 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.43 109.548 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.23 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 64.14 110.269 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 72.2 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.42 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.44 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 63.33 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.41 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 74.34 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.41 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 64.41 110.847 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 75.12 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 74.14 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.23 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 75.05 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 74.32 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.41 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 61.24 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.33 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -66.04 -13.5 60.05 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.43 113.544 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -18.15 64.56 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 120.378 -1.451 . . . . 73.43 113.748 167.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.64 -33.86 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 124.689 1.196 . . . . 74.23 110.693 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -61.63 80.11 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 126.416 1.886 . . . . 75.35 111.411 -173.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.45 -62.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.443 1.897 . . . . 75.23 108.817 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.38 -52.0 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 108.421 -1.872 . . . . 61.35 108.421 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -140.61 34.66 1.82 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.091 1.356 . . . . 74.43 112.944 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.351 2.9 p 63.94 8.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 127.777 2.431 . . . . 74.35 116.595 175.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-N 119.877 1.217 . . . . 75.31 109.379 161.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 109.724 -1.35 . . . . 74.13 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.94 85.91 5.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.507 1.523 . . . . 71.51 107.816 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.41 -50.51 2.59 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.659 1.573 . . . . 75.12 110.028 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 74.38 0.18 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 106.765 -2.534 . . . . 63.13 106.765 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.23 -164.16 54.25 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-O 121.948 0.749 . . . . 72.34 112.875 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -60.33 166.54 2.95 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.74 1.616 . . . . 74.34 111.662 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -156.9 156.47 33.15 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.774 0.797 . . . . 75.33 109.841 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmt-85 -84.24 163.82 19.45 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.459 -0.941 . . . . 75.35 108.459 165.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -130.52 141.99 50.48 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.365 -0.976 . . . . 64.22 108.365 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -79.3 112.71 16.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.257 -1.386 . . . . 74.54 107.257 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 14.21 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.085 0.954 . . . . 74.21 111.381 174.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m 74.55 166.14 0.29 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.986 1.715 . . . . 74.45 110.691 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.3 79.1 3.82 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.892 -1.13 . . . . 74.45 108.989 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.33 106.23 173.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 75.44 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.33 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 74.45 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 74.11 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 75.15 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.32 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.31 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.23 110.935 170.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 71.32 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 74.41 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.21 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.35 113.22 -173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 74.32 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 72.21 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.12 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 71.52 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 73.33 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.45 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.23 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.31 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.11 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.45 110.745 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 74.34 113.809 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 71.11 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.31 108.963 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 71.05 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 74.45 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.21 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 73.03 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.11 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.43 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 74.45 109.693 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.12 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.44 111.774 172.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.45 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.45 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 74.53 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.42 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 74.14 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 74.45 109.499 176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.14 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.23 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 71.13 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.55 109.06 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 72.43 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.14 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 74.34 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.54 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.66 -11.72 38.52 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 73.3 113.115 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -79.14 -10.36 59.8 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.229 1.377 . . . . 73.22 112.547 172.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.8 mt -109.07 -1.17 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 126.458 1.903 . . . . 74.24 110.431 -169.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 49.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.327 -1.483 . . . . 72.21 113.664 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 19.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 129.499 3.12 . . . . 73.42 114.471 -167.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.05 40.33 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.738 2.59 . . . . 65.33 115.101 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.27 19.64 2.95 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.412 1.885 . . . . 74.51 110.96 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.339 5.8 p 53.69 20.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 127.287 2.235 . . . . 71.31 114.201 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.994 2.518 . . . . 74.43 110.932 -179.456 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 CA-C-O 118.897 -0.946 . . . . 63.14 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.75 55.49 12.13 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 126.648 1.979 . . . . 75.42 114.224 169.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.03 160.84 42.56 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.655 2.237 . . . . 74.42 111.869 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.93 51.8 0.1 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.106 -1.198 . . . . 75.03 110.106 -176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 147.26 49.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.714 -0.954 . . . . 75.45 110.714 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.43 146.03 4.07 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 127.457 2.303 . . . . 72.44 107.787 171.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -60.65 149.42 35.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.171 0.588 . . . . 71.41 109.769 168.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 100.62 5.96 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.452 -1.405 . . . . 73.35 109.132 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -75.85 175.24 8.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.316 1.446 . . . . 72.41 109.669 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 48.56 74.29 0.18 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.89 2.476 . . . . 74.02 110.655 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.76 127.54 8.82 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.983 0.913 . . . . 75.35 109.114 177.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 168.57 3.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.686 1.994 . . . . 70.15 109.327 167.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.82 78.7 6.06 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.872 -1.767 . . . . 70.14 111.308 -171.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.34 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.43 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.22 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.53 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 75.52 108.379 -174.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 74.53 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 74.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 75.32 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 74.23 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 75.32 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 75.15 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.14 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.41 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 75.53 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.34 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 75.25 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.33 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.23 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 74.45 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.42 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 61.32 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.45 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 74.24 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 75.41 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 72.35 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 75.32 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.44 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 74.53 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.45 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 74.53 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.51 111.802 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 74.32 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.54 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 72.52 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.53 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.03 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 74.24 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 74.54 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.35 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 74.14 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.54 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.22 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 75.45 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 74.45 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 74.21 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 73.23 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 75.01 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.13 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.21 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -21.23 64.27 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.45 113.309 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -81.82 -10.84 59.21 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.846 1.203 . . . . 73.35 112.424 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.8 mt -81.36 -16.74 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 124.72 1.208 . . . . 74.35 110.498 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.26 79.15 0.06 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.092 0.957 . . . . 63.15 108.785 171.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.376 1.47 . . . . 75.13 109.159 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.32 18.66 76.96 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 125.659 1.599 . . . . 73.02 113.065 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -162.81 147.41 11.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.459 2.304 . . . . 73.42 106.868 173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.76 32.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 125.981 1.713 . . . . 64.24 113.077 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.333 -1.317 . . . . 72.24 111.862 -170.52 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 CA-C-O 121.373 0.43 . . . . 74.11 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.65 164.99 19.94 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 125.694 1.597 . . . . 71.53 108.53 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -63.98 150.56 88.1 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.765 1.644 . . . . 63.23 110.76 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 -36.83 32.78 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.912 -1.275 . . . . 72.2 109.912 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.56 -132.12 51.51 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 124.717 1.151 . . . . 51.22 111.122 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 51.76 21.37 1.37 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.25 1.82 . . . . 74.42 113.487 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -148.36 85.28 1.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.106 1.362 . . . . 74.53 108.765 -167.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -126.96 -10.39 6.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.559 1.144 . . . . 74.51 113.043 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.2 112.16 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 123.878 0.871 . . . . 74.44 108.844 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -139.24 20.79 2.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.149 1.38 . . . . 73.41 111.108 164.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 168.15 20.49 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.253 -1.529 . . . . 74.22 109.819 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.64 -175.0 4.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 63.21 110.355 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.26 82.31 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.618 -1.301 . . . . 74.1 110.869 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 71.23 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.31 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.14 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 63.14 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.14 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.03 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 72.43 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.14 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.21 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 74.43 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.2 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.34 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 73.0 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 74.13 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.21 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.33 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.51 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 74.14 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.34 108.941 170.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.4 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 73.22 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 74.44 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.21 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.01 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.11 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 71.02 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.12 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 74.1 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.43 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 74.23 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.13 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 63.22 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.03 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 74.41 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 74.02 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.03 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 74.34 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 74.53 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.02 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.1 111.054 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 64.44 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 74.13 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 73.34 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.53 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.12 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.4 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 74.22 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.58 1.11 0.4 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.2 113.819 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -111.68 -12.2 13.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.934 1.294 . . . . 74.22 111.938 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 67' ' ' ALA . 96.9 mt -67.61 -79.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 103.903 -2.628 . . . . 73.12 103.903 164.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER 45.66 -6.01 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.504 2.722 . . . . 70.21 116.817 -168.515 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 65' ' ' ILE . . . 48.27 37.05 7.7 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.85 2.06 . . . . 65.3 112.888 -171.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.94 69.51 3.36 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.721 -1.352 . . . . 72.44 109.721 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.06 32.51 0.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.703 1.601 . . . . 72.4 107.126 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.59 -10.29 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.055 -1.028 . . . . 74.41 110.952 -174.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.397 2.279 . . . . 73.52 109.326 171.617 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 109.636 -1.386 . . . . 64.44 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 42.31 68.45 2.73 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.817 . . . . 60.45 113.28 150.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.63 144.04 35.01 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.709 1.606 . . . . 73.14 110.065 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 12.93 4.59 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.27 0.938 . . . . 73.44 113.586 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.5 162.57 29.37 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.743 -1.343 . . . . 51.51 109.743 169.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -132.73 157.76 44.1 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.024 1.33 . . . . 75.21 108.294 167.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m 65.91 -34.74 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.816 2.446 . . . . 52.1 116.506 167.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 48.23 51.0 15.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.962 1.705 . . . . 75.4 113.312 160.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -133.16 155.85 48.55 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.493 -1.379 . . . . 72.2 110.514 -169.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 46.89 -178.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.565 2.346 . . . . 75.44 113.167 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.24 162.53 25.63 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 120.439 -1.413 . . . . 71.41 109.354 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.8 m -94.97 26.0 3.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.533 1.533 . . . . 75.51 112.859 173.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 74.97 34.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.112 0.782 . . . . 73.44 113.112 156.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 73.52 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 74.55 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.51 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.35 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.24 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 74.45 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 72.31 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 63.14 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.55 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 75.45 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 75.41 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 75.35 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.33 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 72.23 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 63.32 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.55 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.44 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.04 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 74.44 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.42 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.24 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.13 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.34 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 75.32 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 75.55 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 73.11 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 75.51 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 75.31 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 75.14 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 73.54 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 75.51 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.44 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 75.11 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.34 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 64.23 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.41 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.23 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 60.12 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.04 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.41 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.43 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.52 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 74.03 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.04 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 74.21 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.33 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.22 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 75.53 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.45 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.35 -27.83 66.29 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.24 112.394 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.93 -23.63 65.1 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 119.807 1.185 . . . . 72.51 113.403 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.5 mm -60.93 -34.9 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.876 1.271 . . . . 74.13 111.559 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 82.26 0.36 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.825 1.25 . . . . 74.54 108.354 -172.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.76 -62.31 1.74 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.146 1.778 . . . . 64.51 108.641 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.7 -25.63 1.05 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.64 -0.709 . . . . 73.42 114.162 174.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.51 38.77 3.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.827 1.651 . . . . 73.44 108.396 -169.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -69.31 -18.43 22.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 O-C-N 121.441 -0.787 . . . . 72.33 110.49 158.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.25 1.13 0 N-CA-C 103.988 -2.597 . . . . 74.31 103.988 162.034 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 110.824 -0.911 . . . . 72.03 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.73 57.81 12.84 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.308 1.843 . . . . 75.43 113.874 165.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.17 -55.5 1.86 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.683 2.922 . . . . 74.34 112.936 -164.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.6 156.12 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.43 -2.668 . . . . 72.02 106.43 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.71 -102.65 0.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 118.269 1.034 . . . . 73.11 112.431 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -117.93 95.69 5.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.675 -1.231 . . . . 74.13 107.675 -162.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 m -143.98 -85.17 0.14 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 74.2 110.147 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -63.74 149.76 46.01 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.717 -0.845 . . . . 74.33 108.717 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 67.06 174.49 0.25 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.038 0.935 . . . . 74.41 111.853 168.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 57.75 74.88 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.801 1.64 . . . . 74.31 111.698 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -72.78 -164.71 0.17 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.214 1.006 . . . . 72.21 111.264 165.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -129.56 161.15 31.17 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 128.937 2.895 . . . . 52.5 107.824 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 96.15 0.92 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 70.23 107.857 171.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 72.3 104.402 168.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.44 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.14 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.41 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 71.24 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.3 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.51 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.43 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 75.31 112.155 171.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 74.32 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 74.1 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.32 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.44 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 72.33 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.11 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 75.2 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.31 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 72.11 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.11 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 62.02 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.45 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.44 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.01 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.42 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.55 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 75.14 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 62.41 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.42 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.14 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 72.51 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.52 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 74.33 110.562 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.44 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 72.02 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 73.23 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.32 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 72.11 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.23 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 75.32 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.4 109.947 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 75.33 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.34 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.32 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.22 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.11 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.3 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.13 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -68.99 -1.22 6.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.4 113.567 171.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -78.66 -25.64 44.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 121.71 2.05 . . . . 73.14 109.386 165.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.66 -83.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 126.703 2.001 . . . . 75.34 106.742 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.47 36.16 1.58 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.99 1.716 . . . . 73.21 111.845 -172.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.24 61.24 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.4 -0.813 . . . . 64.24 113.119 -173.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.32 -52.92 0.68 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.676 -2.17 . . . . 75.23 107.676 -156.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.45 49.74 16.18 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.594 1.958 . . . . 75.14 109.841 -172.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.97 19.97 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.348 2.659 . . . . 75.32 109.216 170.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.466 -1.309 . . . . 73.11 107.466 157.291 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 111.024 -0.831 . . . . 53.51 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.05 57.55 13.39 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.078 1.751 . . . . 71.03 115.483 163.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -64.21 164.59 22.17 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.931 2.421 . . . . 70.44 111.31 -176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 -95.82 0.12 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.748 -1.341 . . . . 53.31 109.748 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.36 -58.06 4.07 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.76 1.172 . . . . 72.31 111.789 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -51.91 119.6 4.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.56 2.344 . . . . 74.13 111.546 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -151.94 143.54 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.819 1.648 . . . . 70.22 109.406 160.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.48 115.73 5.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.679 1.992 . . . . 73.44 106.891 168.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -163.61 160.81 23.34 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.601 1.56 . . . . 65.22 108.693 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -79.66 112.16 16.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 118.709 0.686 . . . . 60.34 109.656 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -121.43 162.08 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.645 1.178 . . . . 73.33 108.201 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -69.81 149.57 47.79 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.24 -1.022 . . . . 65.31 108.24 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.42 97.57 0.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.025 1.33 . . . . 61.01 109.77 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 65.11 105.879 164.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 54.31 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 74.43 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.33 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 74.35 109.135 -174.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.33 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.13 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.43 109.528 -174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.43 112.776 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.05 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 72.41 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 74.42 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 73.15 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 73.05 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.43 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.24 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 73.11 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.35 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 72.44 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 75.45 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 73.34 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.44 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.44 109.415 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.31 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 72.43 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.45 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 71.12 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.03 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.03 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.24 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.44 111.519 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 74.23 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.04 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 72.23 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.21 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 74.24 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 73.33 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.22 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 74.22 110.246 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.34 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.43 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.41 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.44 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.03 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.43 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.31 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.3 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -58.11 -25.49 61.43 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.02 113.561 172.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -69.17 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 121.283 1.856 . . . . 74.23 112.786 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.29 -42.28 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 120.914 -1.116 . . . . 74.03 109.413 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.75 -4.4 2.05 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.83 1.048 . . . . 74.02 113.83 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 75.2 -4.5 2.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.049 2.14 . . . . 65.42 115.082 156.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 55.19 4.68 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.754 -1.738 . . . . 74.01 108.754 -166.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.33 86.44 0.17 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.457 1.903 . . . . 74.11 108.297 174.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.1 t 52.83 31.84 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 125.968 1.707 . . . . 72.44 111.702 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.249 1.055 0 C-N-CA 127.909 2.484 . . . . 74.02 111.681 170.899 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.805 -0.518 . . . . 51.11 111.805 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.87 85.4 0.18 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 129.188 2.995 . . . . 73.53 114.438 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.29 -54.47 1.74 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.721 2.281 . . . . 74.45 111.143 172.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.02 11.71 71.41 Favored Glycine 0 CA--C 1.523 0.536 0 O-C-N 121.009 -1.057 . . . . 72.55 112.371 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.95 127.04 24.47 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 118.976 1.388 . . . . 72.12 110.244 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -153.72 53.29 0.71 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.928 0.891 . . . . 74.15 109.646 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 93.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.769 1.227 . . . . 74.35 113.203 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -140.37 128.7 22.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.739 0.816 . . . . 74.31 108.883 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -131.6 173.55 11.01 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.073 0.949 . . . . 74.35 109.949 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -150.39 45.04 0.88 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.633 1.106 . . . . 75.05 113.937 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -147.62 65.12 1.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.003 -1.061 . . . . 73.14 111.755 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 173.2 5.23 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.09 0.859 . . . . 73.43 110.718 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.54 37.24 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.696 1.599 . . . . 65.41 114.216 -171.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.43 104.761 173.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.44 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 74.01 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 74.11 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 74.23 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.44 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 75.3 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 72.32 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.44 112.605 173.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 73.13 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.31 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.11 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 73.01 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.43 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.34 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 74.23 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.42 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 74.44 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.14 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 74.32 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.22 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.01 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.42 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 71.21 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.23 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 73.2 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 73.23 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 73.41 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.31 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.01 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 74.03 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.23 110.316 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.04 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.11 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.54 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 73.44 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 74.2 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 73.41 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.43 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 74.01 109.434 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 73.44 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 74.14 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 72.44 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.34 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.22 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 74.5 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 73.43 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 72.12 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -56.35 -33.08 65.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 74.33 112.121 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -66.1 -23.16 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.546 1.067 . . . . 73.24 112.908 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -69.28 -26.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 124.407 1.083 . . . . 71.43 110.556 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 87.72 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 127.039 2.135 . . . . 70.42 109.759 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.07 65.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.77 2.028 . . . . 64.41 111.807 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.95 -150.35 51.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.102 -1.599 . . . . 74.1 109.102 -168.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.25 44.17 0.47 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.363 1.077 . . . . 72.24 108.138 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.83 -10.48 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 123.786 0.835 . . . . 73.53 110.242 168.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--O 1.245 0.831 0 N-CA-C 107.02 -1.474 . . . . 74.21 107.02 165.194 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 110.487 -1.045 . . . . 60.23 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 165.39 35.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.945 2.098 . . . . 75.02 107.514 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -68.91 -176.76 1.35 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.709 2.273 . . . . 74.22 112.728 -177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.11 -33.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.375 0.988 . . . . 40.3 112.821 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.59 -67.54 2.48 Favored Glycine 0 CA--C 1.523 0.535 0 O-C-N 121.01 -1.288 . . . . 55.32 111.183 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.44 145.39 49.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.347 1.573 . . . . 74.11 108.309 165.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -140.12 -84.13 0.23 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.408 1.083 . . . . 71.34 108.822 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -132.91 41.07 3.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.377 1.444 . . . . 75.21 114.084 -162.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -74.32 -72.14 0.3 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 120.999 -1.063 . . . . 75.14 110.325 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -158.58 -174.19 4.66 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.06 0.845 . . . . 75.52 110.166 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 167.54 0.23 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.125 0.97 . . . . 64.55 110.601 166.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -126.74 171.59 11.06 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.528 1.131 . . . . 73.52 108.29 172.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 102.34 0.27 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.814 0.846 . . . . 71.13 109.444 171.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.32 104.833 160.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 64.41 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.55 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.32 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.44 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.44 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.45 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.23 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.24 111.159 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 75.52 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 75.22 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.31 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 72.52 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 74.41 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 73.31 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 70.31 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.15 112.193 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.45 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 73.42 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.32 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.23 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.34 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.23 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 75.01 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.33 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.32 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.15 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.31 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 75.03 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 71.25 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 72.12 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 74.22 110.323 -174.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.43 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.22 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.05 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.44 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.24 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 75.13 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 71.43 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 74.41 110.137 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 75.24 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.52 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.14 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 75.13 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.35 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.41 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 74.52 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 73.25 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -24.89 63.87 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.55 113.597 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.259 13.7 ptt180 -60.35 -26.72 66.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.227 1.376 . . . . 71.22 113.887 174.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.2 mt -73.75 -2.02 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 128.023 2.529 . . . . 73.11 111.661 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 53.57 0.06 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 119.958 -1.714 . . . . 72.53 112.925 168.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.68 -57.04 13.63 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.65 1.98 . . . . 74.45 111.465 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 67.28 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.519 2.485 . . . . 73.41 110.512 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -168.33 28.46 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 128.222 2.609 . . . . 61.25 107.753 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.84 -17.2 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.286 -0.884 . . . . 73.44 110.143 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.253 1.262 0 N-CA-C 105.983 -1.858 . . . . 72.13 105.983 -122.755 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.338 -0.705 . . . . 73.22 111.338 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.8 34.16 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.246 1.018 . . . . 75.41 110.303 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -60.34 112.22 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.16 1.907 . . . . 64.14 108.685 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.96 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 107.412 -2.275 . . . . 73.34 107.412 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.08 154.19 50.54 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-O 121.372 0.429 . . . . 74.5 112.15 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 179.74 4.11 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.847 1.659 . . . . 75.24 108.395 176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -94.7 -50.43 5.17 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.465 -0.772 . . . . 72.23 109.021 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 54.55 18.03 1.85 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.203 1.401 . . . . 63.5 113.615 -172.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -112.94 -26.87 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.861 1.43 . . . . 71.42 114.861 -172.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -134.23 77.92 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.105 1.775 . . . . 74.01 111.89 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 179.61 147.03 0.22 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.653 1.981 . . . . 75.5 108.758 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -78.59 -166.87 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.536 1.135 . . . . 74.2 110.166 173.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 34.45 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.64 1.976 . . . . 74.21 114.622 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.43 107.021 175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.32 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.34 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 75.5 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 74.32 110.099 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 75.34 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 74.2 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.53 109.546 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.31 111.041 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.53 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 75.35 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.35 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.35 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 73.51 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.51 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.32 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.41 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 74.01 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 73.22 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.42 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.01 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.34 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 74.51 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.35 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 75.25 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.22 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.35 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 73.13 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 74.34 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.41 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.2 110.972 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.53 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 73.44 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 75.4 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.04 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.43 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.4 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.43 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 74.34 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.31 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.44 109.684 176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 72.35 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 74.14 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.04 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.51 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.54 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 73.43 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.45 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.53 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.42 -20.45 30.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.44 112.89 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -77.45 -22.23 51.72 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.007 1.73 . . . . 73.12 112.931 171.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.03 -1.34 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 125.325 1.45 . . . . 74.14 110.926 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -51.01 -15.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.177 -1.577 . . . . 75.14 114.136 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.04 -11.82 16.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 115.439 1.644 . . . . 72.42 115.439 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 34.98 2.92 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-O 118.924 -0.931 . . . . 64.51 111.838 -174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.78 13.66 1.17 Allowed 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 118.625 1.213 . . . . 73.35 112.783 -169.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.2 13.08 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.31 1.444 . . . . 73.52 110.459 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.246 0.9 0 C-N-CA 126.114 1.766 . . . . 75.43 108.166 169.334 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.867 -0.893 . . . . 62.33 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.08 75.76 0.52 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.268 1.827 . . . . 73.4 111.026 -161.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.64 75.87 2.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.68 2.92 . . . . 75.53 109.441 173.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 107.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.874 -1.291 . . . . 73.21 109.874 -170.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.36 54.76 0.12 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 125.365 1.46 . . . . 72.23 109.739 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 112.8 22.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.821 0.81 . . . . 72.54 109.137 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.81 131.44 33.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.055 0.843 . . . . 75.22 109.91 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -144.57 51.81 1.26 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.059 -1.026 . . . . 75.15 110.36 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -144.92 -175.33 4.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.106 0.962 . . . . 75.15 108.409 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 62.31 35.66 15.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.24 1.416 . . . . 73.12 112.736 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -113.42 -175.97 2.79 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.518 1.527 . . . . 73.21 109.563 -173.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.25 175.42 5.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.933 1.293 . . . . 74.45 107.664 168.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.71 71.42 7.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.236 1.014 . . . . 60.43 111.435 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 64.34 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 75.31 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.32 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.43 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 74.25 108.598 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 75.41 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.14 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.34 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.41 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.33 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 75.43 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.03 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 74.44 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 71.13 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.1 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.34 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.2 113.798 167.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.11 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.2 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.474 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 75.12 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.24 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 63.31 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.1 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.11 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 74.34 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.31 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 74.31 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 72.34 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.41 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 73.05 110.836 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.32 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 75.24 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.33 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 74.12 109.581 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.15 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 74.31 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 73.45 109.998 -177.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 75.35 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.405 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.34 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.23 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.43 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.11 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.42 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 71.3 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.54 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.12 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.14 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -65.24 -8.17 16.4 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 74.41 113.394 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.25 9.84 36.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 121.058 1.754 . . . . 75.43 111.196 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.51 -14.08 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.945 2.098 . . . . 75.54 110.76 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 77.17 0.2 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.909 -1.119 . . . . 74.52 109.309 172.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.62 91.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.466 0.706 . . . . 73.1 111.741 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 -22.7 32.04 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.741 1.639 . . . . 75.52 112.348 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -152.33 146.02 25.04 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.931 -1.877 . . . . 70.41 105.931 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.55 81.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 105.923 -1.88 . . . . 74.51 105.923 154.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.242 0.708 0 N-CA-C 103.183 -2.895 . . . . 73.43 103.183 155.579 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.409999999999997 108.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.540000000000006 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.109999999999999 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 73.430000000000007 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 40.119999999999997 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HA ' HD22 ' A' ' 44' ' ' LEU . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.430000000000007 109.807 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 65.409999999999997 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 31.510000000000002 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 44' ' ' LEU . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.109999999999999 109.156 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.409999999999997 111.437 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.420000000000002 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 64.109999999999999 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.530000000000001 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.420000000000002 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 24.399999999999999 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.120000000000005 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.329999999999998 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 60.520000000000003 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.420000000000002 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 60.520000000000003 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.219999999999999 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 72.310000000000002 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.540000000000006 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.230000000000004 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 71.129999999999995 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 54.049999999999997 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.510000000000005 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 63.119999999999997 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.409999999999997 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.150000000000006 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 55.109999999999999 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 18' ' ' GLN . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 55.340000000000003 110.856 -173.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.209999999999994 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 61.32 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 44.539999999999999 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.450000000000003 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.420000000000002 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.540000000000006 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.219999999999999 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 63.340000000000003 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.129999999999995 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.439999999999998 110.014 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 74.140000000000001 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 54.420000000000002 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 64.209999999999994 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.340000000000003 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.329999999999998 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.430000000000007 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 61.329999999999998 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 64.519999999999996 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 53.310000000000002 112.128 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.326 0.491 . . . . 71.519999999999996 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.519999999999996 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.310000000000002 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 42.219999999999999 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 54.329999999999998 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 60.310000000000002 110.263 -175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 62.219999999999999 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 73.5 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.140000000000001 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 61.229999999999997 111.537 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 74.140000000000001 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.25 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 73.329999999999998 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 73.140000000000001 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 54.310000000000002 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.319999999999993 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 73.109999999999999 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 65.219999999999999 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 73.219999999999999 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 63.130000000000003 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.439999999999998 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 62.030000000000001 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 70.329999999999998 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.049999999999997 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 70.219999999999999 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.530000000000001 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.439999999999998 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 53.229999999999997 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.129999999999995 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.519999999999996 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.540000000000006 110.811 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 72.310000000000002 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.120000000000005 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.039999999999999 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 64.099999999999994 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.119999999999997 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 63.310000000000002 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.129999999999995 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.120000000000005 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.129999999999995 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 64.400000000000006 109.659 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 65.299999999999997 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 72.530000000000001 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.239999999999995 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.150000000000006 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.430000000000007 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.150000000000006 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.209999999999994 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.219999999999999 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.549999999999997 113.075 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.914 0.387 . . . . 73.430000000000007 111.8 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HE2' HD21 ' A' ' 22' ' ' LEU . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 64.340000000000003 106.026 173.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.400000000000006 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 71.530000000000001 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.120000000000005 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 44' ' ' LEU . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.519999999999996 109.907 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 71.129999999999995 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.099999999999994 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.409999999999997 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.200000000000003 111.572 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 64.219999999999999 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.219999999999999 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 54.240000000000002 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.239999999999995 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 52.219999999999999 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 71.319999999999993 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.329999999999998 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 60.439999999999998 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 55.409999999999997 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.430000000000007 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 64.209999999999994 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.140000000000001 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.439999999999998 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.530000000000001 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.109999999999999 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 72.140000000000001 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 74.540000000000006 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.400000000000006 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 61.200000000000003 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 18' ' ' GLN . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 71.540000000000006 111.33 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 62.43 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 70.329999999999998 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.519999999999996 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.430000000000007 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 54.119999999999997 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 62.43 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.319999999999993 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 70.540000000000006 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 63.210000000000001 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.657 ' CD2' HD23 ' A' ' 22' ' ' LEU . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.219999999999999 109.819 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 72.519999999999996 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 52.439999999999998 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.140000000000001 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 72.129999999999995 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 60.340000000000003 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.310000000000002 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.109999999999999 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.549999999999997 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.019999999999996 111.447 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.2 -0.296 . . . . 61.020000000000003 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 65.140000000000001 104.49 162.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 63.210000000000001 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.329999999999998 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 55.100000000000001 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 55.299999999999997 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.230000000000004 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 74.209999999999994 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' HD21 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.129999999999995 111.054 175.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.129999999999995 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 61.340000000000003 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 71.109999999999999 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.230000000000004 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.319999999999993 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 61.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 70.109999999999999 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.510000000000005 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 71.109999999999999 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.340000000000003 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 72.409999999999997 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 70.219999999999999 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.420000000000002 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 72.409999999999997 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.510000000000005 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 73.329999999999998 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 73.230000000000004 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.109999999999999 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.439999999999998 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 60.299999999999997 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 ' HG2' ' A' ' 21' ' ' GLU . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.400000000000006 110.236 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 63.219999999999999 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 14' ' ' PHE . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 71.299999999999997 108.275 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.510000000000005 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.530000000000001 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.340000000000003 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 45.030000000000001 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 71.310000000000002 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.400000000000006 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 64.530000000000001 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CD2' HD23 ' A' ' 22' ' ' LEU . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.209999999999994 110.37 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.530000000000001 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 63.109999999999999 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 52.43 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.030000000000001 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 71.239999999999995 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.420000000000002 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 73.329999999999998 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 73.040000000000006 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.540000000000006 112.276 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 113.704 1.001 . . . . 73.019999999999996 113.704 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.450000000000003 108.021 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 51.32 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.420000000000002 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 64.120000000000005 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 64.319999999999993 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 74.219999999999999 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 74.219999999999999 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 64.450000000000003 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.219999999999999 110.858 163.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.349999999999994 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.430000000000007 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.230000000000004 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 74.319999999999993 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.409999999999997 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.230000000000004 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 72.319999999999993 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 73.230000000000004 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.439999999999998 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.319999999999993 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.239999999999995 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 71.319999999999993 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.019999999999996 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.150000000000006 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.030000000000001 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 70.450000000000003 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.349999999999994 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.420000000000002 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.140000000000001 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.140000000000001 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 55.140000000000001 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 54.530000000000001 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 71.129999999999995 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 65.049999999999997 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.310000000000002 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 65.409999999999997 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.120000000000005 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.310000000000002 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 70.409999999999997 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 45.439999999999998 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 22' ' ' LEU . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.430000000000007 110.446 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.329999999999998 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.409999999999997 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.210000000000001 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.140000000000001 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.239999999999995 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 54.420000000000002 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.340000000000003 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.239999999999995 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.010000000000005 111.957 -173.536 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.450000000000003 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 46' ' ' LEU . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 63.200000000000003 106.248 166.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 60.420000000000002 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 44.200000000000003 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.409999999999997 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 43.200000000000003 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.329999999999998 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 62.409999999999997 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.540000000000006 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 62.530000000000001 112.258 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.299999999999997 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 72.299999999999997 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.510000000000005 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 73.109999999999999 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 64.140000000000001 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.129999999999995 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 73.540000000000006 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 73.420000000000002 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 71.540000000000006 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 73.340000000000003 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 53.240000000000002 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.340000000000003 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 61.229999999999997 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 61.409999999999997 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 74.5 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.510000000000005 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 72.340000000000003 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.200000000000003 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.219999999999999 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 64.400000000000006 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.540000000000006 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 62.439999999999998 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 62.329999999999998 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.509999999999998 109.767 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.329999999999998 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 61.409999999999997 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.099999999999994 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.340000000000003 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 63.5 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 71.340000000000003 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.319999999999993 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.299999999999997 110.459 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.340000000000003 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.420000000000002 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.039999999999999 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 64.219999999999999 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 63.020000000000003 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.120000000000005 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 62.130000000000003 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 72.049999999999997 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 64.150000000000006 112.803 -179.416 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 115.205 1.557 . . . . 74.409999999999997 115.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.430000000000007 105.563 172.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.439999999999998 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.349999999999994 112.51 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.430000000000007 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.420000000000002 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 55.210000000000001 112.97 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 52.420000000000002 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.020000000000003 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 54' ' ' TRP . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.310000000000002 112.211 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 73.310000000000002 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.439999999999998 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 64.329999999999998 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.329999999999998 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 62.140000000000001 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.229999999999997 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 63.009999999999998 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.010000000000005 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.299999999999997 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.340000000000003 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.409999999999997 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 60.520000000000003 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 51.229999999999997 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 55.210000000000001 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 60.509999999999998 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.230000000000004 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 62.030000000000001 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.239999999999995 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.319999999999993 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.430000000000007 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.439999999999998 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.099999999999994 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 42.399999999999999 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 14' ' ' PHE . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 61.399999999999999 107.841 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.239999999999995 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.200000000000003 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 60.520000000000003 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 53.039999999999999 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.299999999999997 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.400000000000006 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.510000000000005 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.512 ' CG ' HD23 ' A' ' 22' ' ' LEU . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 64.450000000000003 110.44 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.439999999999998 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 62.329999999999998 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 74.340000000000003 109.896 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 63.020000000000003 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 44.409999999999997 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 61.409999999999997 110.25 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.310000000000002 110.119 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 63.450000000000003 114.153 173.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 109.619 -0.511 . . . . 73.329999999999998 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.129999999999995 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.219999999999999 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 72.540000000000006 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 44' ' ' LEU . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.450000000000003 109.447 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.439999999999998 112.997 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 71.510000000000005 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.420000000000002 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 72.349999999999994 113.42 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.340000000000003 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 52.009999999999998 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 72.109999999999999 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.219999999999999 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 55.039999999999999 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.540000000000006 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.310000000000002 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 70.129999999999995 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.040000000000006 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 73.040000000000006 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.140000000000001 108.676 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 65.209999999999994 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.310000000000002 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 62.140000000000001 108.27 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.439999999999998 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.319999999999993 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.329999999999998 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.010000000000005 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.349999999999994 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 63.009999999999998 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 71.120000000000005 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 18' ' ' GLN . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 72.310000000000002 110.932 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.140000000000001 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 61.030000000000001 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 63.119999999999997 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.439999999999998 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.010000000000005 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.040000000000006 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.120000000000005 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 73.030000000000001 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.239999999999995 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 62.350000000000001 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.420000000000002 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.530000000000001 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.450000000000003 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.319999999999993 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 74.140000000000001 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 71.349999999999994 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 54.219999999999999 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.219999999999999 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 44.229999999999997 113.318 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 121.212 0.53 . . . . 51.340000000000003 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 22' ' ' LEU . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 64.109999999999999 104.33 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 53.130000000000003 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.400000000000006 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.409999999999997 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 72.299999999999997 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.239999999999995 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.340000000000003 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.200000000000003 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.430000000000007 110.919 173.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 74.400000000000006 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 54.0 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.329999999999998 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.430000000000007 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.200000000000003 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 60.439999999999998 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 72.129999999999995 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.0 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.239999999999995 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.230000000000004 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 63.210000000000001 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 63.0 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.239999999999995 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.409999999999997 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.010000000000005 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 52.530000000000001 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.109999999999999 110.367 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 62.229999999999997 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 43.200000000000003 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 74.319999999999993 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.439999999999998 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 74.319999999999993 110.754 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 71.120000000000005 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.099999999999994 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 52' ' ' LYS . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 61.130000000000003 109.991 -169.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.430000000000007 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 41' ' ' ALA . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.019999999999996 110.359 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 49' ' ' VAL . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.239999999999995 110.322 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.209999999999994 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 63.32 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.310000000000002 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 71.409999999999997 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 72.310000000000002 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.239999999999995 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.200000000000003 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 33.439999999999998 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 73.230000000000004 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.430000000000007 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt . . . . . 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.310000000000002 112.39 -172.901 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.771 0.319 . . . . 74.019999999999996 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.439999999999998 106.665 169.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.439999999999998 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.329999999999998 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.299999999999997 108.323 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 71.109999999999999 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 72.299999999999997 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.329999999999998 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.319999999999993 112.235 175.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.420000000000002 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.329999999999998 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 55.229999999999997 112.557 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.340000000000003 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.329999999999998 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.020000000000003 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.009999999999998 109.03 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 62.009999999999998 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 63.32 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 74.409999999999997 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.019999999999996 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 62.229999999999997 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.030000000000001 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 63.039999999999999 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.430000000000007 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.299999999999997 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 73.129999999999995 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.420000000000002 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 64.140000000000001 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.010000000000005 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 62.0 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 18' ' ' GLN . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.430000000000007 109.548 -173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.230000000000004 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 14' ' ' PHE . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 52.340000000000003 110.269 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 64.019999999999996 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.420000000000002 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.439999999999998 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 62.420000000000002 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.409999999999997 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 70.200000000000003 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.239999999999995 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 22' ' ' LEU . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 41.409999999999997 110.847 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 74.219999999999999 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 72.409999999999997 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.230000000000004 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 71.109999999999999 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 62.030000000000001 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.409999999999997 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 55.509999999999998 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.329999999999998 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.430000000000007 113.544 179.5 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 40.329999999999998 108.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.329999999999998 106.23 173.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 72.030000000000001 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.329999999999998 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 53.420000000000002 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 73.219999999999999 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 54.229999999999997 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.319999999999993 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.310000000000002 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.230000000000004 110.935 170.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 64.530000000000001 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 63.350000000000001 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.209999999999994 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' A' ' 58' ' ' GLU . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.349999999999994 113.22 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 73.549999999999997 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 53.229999999999997 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.120000000000005 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 63.310000000000002 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 72.239999999999995 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.450000000000003 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.229999999999997 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.310000000000002 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.109999999999999 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.450000000000003 110.745 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 48' ' ' GLU . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 73.310000000000002 113.809 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 50.219999999999999 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.310000000000002 108.963 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 65.25 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 31.32 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.209999999999994 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 72.310000000000002 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.109999999999999 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.430000000000007 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 61.329999999999998 109.693 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.120000000000005 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 37' ' ' ARG . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.439999999999998 111.774 172.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.450000000000003 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.450000000000003 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 61.109999999999999 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.420000000000002 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 63.219999999999999 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 63.420000000000002 109.499 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.140000000000001 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.230000000000004 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 61.340000000000003 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 26' ' ' PHE . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.549999999999997 109.06 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 70.209999999999994 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.140000000000001 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 70.349999999999994 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.540000000000006 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 72.310000000000002 113.115 176.007 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 119.697 -0.192 . . . . 70.140000000000001 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.340000000000003 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.430000000000007 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.219999999999999 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.530000000000001 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.578 ' HA ' HD22 ' A' ' 44' ' ' LEU . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 74.310000000000002 108.379 -174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 72.239999999999995 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 54.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 74.329999999999998 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 73.530000000000001 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 60.329999999999998 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 74.209999999999994 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.140000000000001 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.150000000000006 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 64.129999999999995 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.340000000000003 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 74.409999999999997 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.329999999999998 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.230000000000004 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 71.319999999999993 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.420000000000002 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 60.530000000000001 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.450000000000003 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 54.039999999999999 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 64.209999999999994 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 71.519999999999996 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 72.510000000000005 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.109999999999999 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 73.340000000000003 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.450000000000003 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 73.540000000000006 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.510000000000005 111.802 -173.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 64.420000000000002 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.540000000000006 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 65.150000000000006 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.530000000000001 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.030000000000001 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 70.319999999999993 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 63.149999999999999 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.349999999999994 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 53.219999999999999 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.540000000000006 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.219999999999999 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 52.119999999999997 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 72.310000000000002 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 53.219999999999999 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 72.439999999999998 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 71.439999999999998 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.019999999999996 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.209999999999994 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.450000000000003 113.309 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.443 0.639 . . . . 50.509999999999998 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 50.5 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.310000000000002 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.140000000000001 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 62.240000000000002 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.140000000000001 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.030000000000001 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 70.209999999999994 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.140000000000001 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.209999999999994 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 71.019999999999996 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.200000000000003 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.340000000000003 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 72.209999999999994 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 73.430000000000007 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.099999999999994 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.329999999999998 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.509999999999998 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 43.240000000000002 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 55' ' ' PHE . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.310000000000002 108.941 170.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.400000000000006 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 54.5 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 44.109999999999999 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.209999999999994 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.010000000000005 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.109999999999999 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 64.120000000000005 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.120000000000005 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 70.140000000000001 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.430000000000007 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 64.0 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.129999999999995 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 61.200000000000003 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.030000000000001 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 72.239999999999995 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 71.019999999999996 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.030000000000001 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 73.400000000000006 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 54.439999999999998 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.019999999999996 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.099999999999994 111.054 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 63.219999999999999 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 65.120000000000005 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 72.219999999999999 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.099999999999994 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.120000000000005 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.400000000000006 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 72.109999999999999 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.109999999999999 113.819 176.301 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 113.112 0.782 . . . . 64.510000000000005 113.112 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 53.240000000000002 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 63.130000000000003 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.510000000000005 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.349999999999994 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.239999999999995 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 55.030000000000001 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 70.109999999999999 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 55.329999999999998 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.549999999999997 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 73.310000000000002 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 72.340000000000003 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 73.349999999999994 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.329999999999998 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 61.350000000000001 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 24.129999999999999 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.549999999999997 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.439999999999998 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.040000000000006 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 60.539999999999999 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.420000000000002 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.239999999999995 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.129999999999995 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.140000000000001 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 64.450000000000003 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 74.109999999999999 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 60.140000000000001 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 53.009999999999998 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 63.549999999999997 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 72.349999999999994 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 61.310000000000002 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 73.349999999999994 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.439999999999998 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 51.140000000000001 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.340000000000003 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 62.409999999999997 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.409999999999997 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.230000000000004 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 53.109999999999999 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.040000000000006 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.409999999999997 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.430000000000007 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.519999999999996 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 73.439999999999998 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.040000000000006 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 71.430000000000007 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.329999999999998 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.219999999999999 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 55.229999999999997 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.450000000000003 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.239999999999995 112.394 178.642 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 51.130000000000003 107.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 65.040000000000006 104.402 168.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.439999999999998 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.140000000000001 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.409999999999997 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 64.5 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.299999999999997 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.510000000000005 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.430000000000007 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' CD2' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 74.140000000000001 112.155 171.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 73.540000000000006 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 64.0 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.319999999999993 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.439999999999998 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 44.399999999999999 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.109999999999999 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 34.039999999999999 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.310000000000002 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 64.409999999999997 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.109999999999999 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 60.140000000000001 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.450000000000003 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.439999999999998 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.010000000000005 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.420000000000002 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.219999999999999 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 71.430000000000007 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 60.0 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.420000000000002 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.140000000000001 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 63.340000000000003 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.519999999999996 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 61.100000000000001 110.562 -170.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.439999999999998 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 61.240000000000002 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 71.400000000000006 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.319999999999993 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 63.0 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.230000000000004 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 74.340000000000003 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.632 ' CD2' HD23 ' A' ' 22' ' ' LEU . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.400000000000006 109.947 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 74.120000000000005 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.340000000000003 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.319999999999993 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.219999999999999 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.109999999999999 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.299999999999997 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.129999999999995 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.400000000000006 113.567 171.197 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 109.77 -0.455 . . . . 54.439999999999998 109.77 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 62.409999999999997 105.879 164.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 44.439999999999998 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 70.120000000000005 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.329999999999998 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 44' ' ' LEU . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 65.349999999999994 109.135 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.329999999999998 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.129999999999995 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HG3' HD21 ' A' ' 44' ' ' LEU . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.430000000000007 109.528 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.010000000000005 112.776 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.049999999999997 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 62.350000000000001 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 72.430000000000007 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 62.039999999999999 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 70.030000000000001 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.430000000000007 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.239999999999995 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 72.340000000000003 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.350000000000001 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 71.209999999999994 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 74.120000000000005 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 71.450000000000003 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.439999999999998 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.439999999999998 109.415 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.310000000000002 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 71.129999999999995 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.450000000000003 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 63.450000000000003 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.030000000000001 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.030000000000001 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.239999999999995 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 18' ' ' GLN . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.439999999999998 111.519 -175.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 52.530000000000001 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.109999999999999 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.040000000000006 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 62.109999999999999 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.209999999999994 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 72.319999999999993 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 72.010000000000005 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.219999999999999 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD2' HD23 ' A' ' 22' ' ' LEU . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 73.040000000000006 110.246 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.340000000000003 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.319999999999993 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.409999999999997 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.439999999999998 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.030000000000001 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.430000000000007 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.310000000000002 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.299999999999997 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.019999999999996 113.561 172.573 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 114.216 1.191 . . . . 64.019999999999996 114.216 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.430000000000007 104.761 173.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.439999999999998 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 71.400000000000006 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 71.200000000000003 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 73.120000000000005 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.439999999999998 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 73.219999999999999 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 71.239999999999995 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.439999999999998 112.605 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 61.299999999999997 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.310000000000002 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.109999999999999 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 65.439999999999998 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.430000000000007 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.219999999999999 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 71.010000000000005 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.420000000000002 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 44.229999999999997 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.140000000000001 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 73.430000000000007 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.219999999999999 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.010000000000005 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.420000000000002 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 65.420000000000002 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.229999999999997 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 70.230000000000004 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 63.340000000000003 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 71.120000000000005 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.310000000000002 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.010000000000005 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 73.439999999999998 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.230000000000004 110.316 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.040000000000006 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.109999999999999 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.540000000000006 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 71.340000000000003 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 61.439999999999998 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 71.319999999999993 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.430000000000007 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 64.209999999999994 109.434 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 71.129999999999995 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 70.219999999999999 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 64.120000000000005 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.340000000000003 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.219999999999999 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 71.109999999999999 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 72.319999999999993 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 70.109999999999999 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 72.439999999999998 112.121 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.444 -0.576 . . . . 63.5 109.444 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 22' ' ' LEU . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.319999999999993 104.833 160.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 61.439999999999998 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.119999999999997 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.310000000000002 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.439999999999998 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.439999999999998 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.450000000000003 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.230000000000004 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.239999999999995 111.159 175.682 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 72.140000000000001 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 73.439999999999998 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.310000000000002 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 71.450000000000003 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 72.319999999999993 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 64.510000000000005 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 53.009999999999998 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.150000000000006 112.193 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.450000000000003 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 72.329999999999998 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.319999999999993 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.230000000000004 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.340000000000003 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.230000000000004 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 60.130000000000003 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.329999999999998 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.319999999999993 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.149999999999999 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.310000000000002 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 72.329999999999998 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 60.450000000000003 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 64.129999999999995 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 71.349999999999994 110.323 -174.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.430000000000007 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.219999999999999 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.049999999999997 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.439999999999998 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 72.129999999999995 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 55.32 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.699 ' CD2' HD23 ' A' ' 22' ' ' LEU . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 73.140000000000001 110.137 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 73.349999999999994 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.519999999999996 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.140000000000001 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 74.140000000000001 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.209999999999994 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.409999999999997 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 72.310000000000002 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 62.310000000000002 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.549999999999997 113.597 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 114.622 1.341 . . . . 51.439999999999998 114.622 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.430000000000007 107.021 175.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.319999999999993 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.340000000000003 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 74.319999999999993 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.689 ' HA ' HD13 ' A' ' 44' ' ' LEU . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 73.310000000000002 110.099 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 61.130000000000003 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 62.340000000000003 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 44' ' ' LEU . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.530000000000001 109.546 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 54' ' ' TRP . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.310000000000002 111.041 174.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.530000000000001 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 74.510000000000005 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.349999999999994 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.349999999999994 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 62.350000000000001 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.409999999999997 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.319999999999993 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.409999999999997 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 72.340000000000003 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 71.409999999999997 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.421 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.420000000000002 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.010000000000005 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.340000000000003 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 64.519999999999996 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.349999999999994 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 74.530000000000001 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.219999999999999 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.349999999999994 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 63.539999999999999 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 63.539999999999999 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.409999999999997 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 18' ' ' GLN . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.200000000000003 110.972 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.530000000000001 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 61.439999999999998 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 55.100000000000001 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.040000000000006 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.430000000000007 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.400000000000006 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.430000000000007 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 64.340000000000003 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.310000000000002 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.439999999999998 109.684 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 54.340000000000003 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 71.349999999999994 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.040000000000006 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.230000000000004 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.540000000000006 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 53.310000000000002 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.109999999999999 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.349999999999994 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.439999999999998 112.89 176.402 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.459 0.171 . . . . 53.509999999999998 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 62.350000000000001 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 63.119999999999997 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.319999999999993 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.430000000000007 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HA ' HD22 ' A' ' 44' ' ' LEU . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 62.219999999999999 108.598 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 74.340000000000003 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.140000000000001 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.340000000000003 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.409999999999997 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.319999999999993 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 74.310000000000002 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.030000000000001 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 55.200000000000003 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 63.0 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.099999999999994 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.340000000000003 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.200000000000003 113.798 167.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.109999999999999 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.200000000000003 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 60.310000000000002 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.239999999999995 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 62.039999999999999 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.099999999999994 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.109999999999999 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 63.210000000000001 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.310000000000002 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 53.310000000000002 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 71.430000000000007 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.409999999999997 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 18' ' ' GLN . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 71.450000000000003 110.836 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.109999999999999 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 61.109999999999999 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.329999999999998 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' HE2' ' A' ' 52' ' ' LYS . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 73.230000000000004 109.581 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.150000000000006 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 64.120000000000005 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HE2' HG13 ' A' ' 49' ' ' VAL . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 71.040000000000006 109.998 -177.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 73.120000000000005 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD2' HD23 ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.340000000000003 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.040000000000006 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.430000000000007 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.109999999999999 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.420000000000002 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 63.329999999999998 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.540000000000006 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.120000000000005 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.140000000000001 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt . . . . . 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 73.430000000000007 113.394 170.182 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 111.51 -0.636 . . . . 74.209999999999994 111.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.83 71.84 1.43 Allowed Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 125.661 1.584 . . . . 55.450000000000003 110.654 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -78.31 94.69 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.585 2.857 . . . . 72.120000000000005 109.332 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 -74.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.945 -1.662 . . . . 53.030000000000001 108.945 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.31 -173.36 34.17 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.844 1.211 . . . . 63.25 110.465 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.7 38.03 29.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.027 0.931 . . . . 73.25 111.377 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 m -121.42 169.79 10.28 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.055 1.342 . . . . 63.130000000000003 111.178 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -77.83 73.31 4.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.801 -1.187 . . . . 74.120000000000005 110.059 169.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.24 88.85 4.29 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.528 -1.357 . . . . 73.230000000000004 109.922 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 47.21 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.046 2.138 . . . . 64.109999999999999 113.922 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -137.81 167.26 22.09 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.645 . . . . 65.530000000000001 106.927 165.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.75 166.94 22.4 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.605 -0.887 . . . . 61.109999999999999 108.605 160.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.27 84.87 2.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.409999999999997 108.772 169.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.540000000000006 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.109999999999999 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 73.430000000000007 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 40.119999999999997 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HA ' HD22 ' A' ' 44' ' ' LEU . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.430000000000007 109.807 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 65.409999999999997 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 31.510000000000002 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 44' ' ' LEU . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.109999999999999 109.156 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.409999999999997 111.437 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.420000000000002 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 64.109999999999999 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.530000000000001 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.420000000000002 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 24.399999999999999 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.120000000000005 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.329999999999998 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 60.520000000000003 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.420000000000002 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 60.520000000000003 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.219999999999999 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 72.310000000000002 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.540000000000006 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.230000000000004 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 71.129999999999995 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 54.049999999999997 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.510000000000005 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 63.119999999999997 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.409999999999997 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.150000000000006 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 55.109999999999999 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 18' ' ' GLN . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 55.340000000000003 110.856 -173.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.209999999999994 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 61.32 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 44.539999999999999 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.450000000000003 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.420000000000002 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.540000000000006 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.219999999999999 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 63.340000000000003 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.129999999999995 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.439999999999998 110.014 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 74.140000000000001 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 54.420000000000002 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 64.209999999999994 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.340000000000003 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.329999999999998 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.430000000000007 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 61.329999999999998 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 64.519999999999996 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -36.47 67.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 53.310000000000002 112.128 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -64.56 -21.89 66.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.123 0.874 . . . . 62.439999999999998 112.311 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.9 mt -71.33 -22.91 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.164 1.385 . . . . 75.109999999999999 110.967 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -69.58 87.34 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.227 1.376 . . . . 74.349999999999994 108.891 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.99 -57.88 9.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 128.114 2.565 . . . . 75.140000000000001 111.686 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.96 72.74 1.56 Allowed Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.877 -1.689 . . . . 53.43 108.877 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.23 16.55 1.52 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.076 1.75 . . . . 60.229999999999997 109.686 169.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.76 -14.73 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.296 1.438 . . . . 72.129999999999995 110.899 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 126.793 2.037 . . . . 74.549999999999997 111.596 -164.17 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 108.672 -1.771 . . . . 50.329999999999998 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.55 146.7 36.57 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 107.696 -1.224 . . . . 70.400000000000006 107.696 159.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -63.71 139.5 69.53 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.792 1.661 . . . . 71.209999999999994 113.574 -166.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -169.87 22.77 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 127.422 2.439 . . . . 75.319999999999993 107.719 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -9.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.884 1.114 . . . . 40.539999999999999 115.884 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.97 160.41 40.05 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.119 1.959 . . . . 62.229999999999997 109.57 172.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -134.42 126.7 30.05 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.406 -1.331 . . . . 63.009999999999998 107.406 -169.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.14 162.94 13.44 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.331 0.652 . . . . 74.239999999999995 110.249 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 15.17 1.35 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.469 0.914 . . . . 73.430000000000007 113.469 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -94.72 167.02 11.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.275 0.943 . . . . 74.140000000000001 108.986 169.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -61.25 158.96 13.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.041 1.336 . . . . 64.120000000000005 109.741 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.12 162.7 24.03 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.523 1.129 . . . . 72.299999999999997 110.441 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 94.68 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.151 1.78 . . . . 71.519999999999996 112.326 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.519999999999996 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.310000000000002 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 42.219999999999999 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 54.329999999999998 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 60.310000000000002 110.263 -175.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 62.219999999999999 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 73.5 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.140000000000001 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 61.229999999999997 111.537 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 74.140000000000001 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.25 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 73.329999999999998 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 73.140000000000001 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 54.310000000000002 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.319999999999993 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 73.109999999999999 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 65.219999999999999 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 73.219999999999999 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 63.130000000000003 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.439999999999998 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 62.030000000000001 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 70.329999999999998 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.049999999999997 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 70.219999999999999 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.530000000000001 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.439999999999998 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 53.229999999999997 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.129999999999995 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.519999999999996 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.540000000000006 110.811 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 72.310000000000002 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.120000000000005 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.039999999999999 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 64.099999999999994 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.119999999999997 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 63.310000000000002 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.129999999999995 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.120000000000005 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.129999999999995 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 64.400000000000006 109.659 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 65.299999999999997 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 72.530000000000001 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.239999999999995 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.150000000000006 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.430000000000007 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.150000000000006 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.209999999999994 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.219999999999999 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -18.82 63.74 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.549999999999997 113.075 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -80.93 -28.71 35.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 120.561 1.528 . . . . 75.439999999999998 113.145 164.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -74.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.646 -1.613 . . . . 74.409999999999997 106.646 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt 44.91 12.7 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.392 2.277 . . . . 74.540000000000006 115.71 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.36 29.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 119.473 1.033 . . . . 74.510000000000005 109.089 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.99 58.52 4.36 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.095 -0.802 . . . . 64.439999999999998 111.095 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -123.47 37.24 4.46 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.695 1.198 . . . . 72.349999999999994 107.921 161.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.328 9.2 p 45.13 38.05 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 127.85 2.46 . . . . 64.439999999999998 112.457 -171.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.635 1.974 . . . . 72.450000000000003 107.694 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 108.365 -1.894 . . . . 54.219999999999999 108.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.78 66.83 13.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 117.842 0.821 . . . . 71.310000000000002 109.743 169.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.28 -13.01 18.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.754 2.303 . . . . 64.329999999999998 112.468 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 85.55 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 107.354 -2.299 . . . . 60.25 107.354 -170.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.1 93.65 0.34 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.862 -1.695 . . . . 74.239999999999995 108.862 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -110.23 64.24 0.61 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.182 0.993 . . . . 73.340000000000003 108.458 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 p -135.12 71.16 1.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.655 1.182 . . . . 72.540000000000006 109.553 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -84.43 100.52 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.0 1.72 . . . . 74.430000000000007 107.395 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -96.69 143.32 27.75 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 107.316 -1.364 . . . . 74.430000000000007 107.316 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 44.57 66.39 0.88 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.249 2.22 . . . . 72.230000000000004 110.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -64.86 99.89 0.37 Allowed 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.084 0.954 . . . . 71.310000000000002 109.68 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -98.43 26.45 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.447 1.099 . . . . 52.030000000000001 111.299 170.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.04 34.23 7.09 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.296 -0.878 . . . . 73.430000000000007 111.8 164.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HE2' HD21 ' A' ' 22' ' ' LEU . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 64.340000000000003 106.026 173.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.400000000000006 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 71.530000000000001 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.120000000000005 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 44' ' ' LEU . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.519999999999996 109.907 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 71.129999999999995 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.099999999999994 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.409999999999997 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.200000000000003 111.572 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 64.219999999999999 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.219999999999999 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 54.240000000000002 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.239999999999995 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 52.219999999999999 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 71.319999999999993 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.329999999999998 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 60.439999999999998 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 55.409999999999997 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.430000000000007 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 64.209999999999994 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.140000000000001 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.439999999999998 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.530000000000001 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.109999999999999 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 72.140000000000001 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 74.540000000000006 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.400000000000006 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 61.200000000000003 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 18' ' ' GLN . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 71.540000000000006 111.33 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 62.43 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 70.329999999999998 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.519999999999996 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.430000000000007 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 54.119999999999997 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 62.43 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.319999999999993 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 70.540000000000006 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 63.210000000000001 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.657 ' CD2' HD23 ' A' ' 22' ' ' LEU . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.219999999999999 109.819 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 72.519999999999996 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 52.439999999999998 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.140000000000001 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 72.129999999999995 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 60.340000000000003 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.310000000000002 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.109999999999999 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.549999999999997 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -57.94 -35.78 71.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.019999999999996 111.447 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -63.91 -11.91 32.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.716 1.006 . . . . 74.150000000000006 113.716 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -83.14 -16.35 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.772 1.229 . . . . 74.030000000000001 110.867 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -71.61 78.09 0.81 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 107.423 -1.325 . . . . 73.439999999999998 107.423 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.66 32.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.485 1.514 . . . . 62.450000000000003 108.815 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.45 12.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 CA-C-O 117.073 -1.959 . . . . 72.450000000000003 115.019 170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -152.26 21.9 0.65 Allowed 'General case' 0 C--N 1.34 0.189 0 CA-C-N 121.651 2.725 . . . . 63.020000000000003 112.082 -166.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.57 -12.91 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 126.462 1.905 . . . . 60.340000000000003 113.271 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.277 -1.344 . . . . 75.010000000000005 109.536 175.659 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 N-CA-C 110.554 -1.018 . . . . 63.310000000000002 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.55 144.38 0.1 Allowed Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 128.607 2.763 . . . . 74.0 110.415 -161.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.73 176.08 10.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.542 2.161 . . . . 73.409999999999997 111.035 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 32.14 0.09 OUTLIER Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.58 1.086 . . . . 34.240000000000002 111.161 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.7 -163.38 27.05 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 127.007 2.241 . . . . 72.530000000000001 111.181 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 47.59 29.81 1.55 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.763 2.025 . . . . 70.219999999999999 113.587 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 p -152.81 170.76 19.51 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 125.486 1.515 . . . . 70.209999999999994 110.477 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -114.7 172.33 7.1 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.471 1.508 . . . . 73.340000000000003 107.181 161.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -120.16 96.12 5.03 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.503 -0.748 . . . . 74.129999999999995 109.589 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 44.68 72.84 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.778 2.431 . . . . 75.140000000000001 111.512 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 74.82 1.61 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.484 0.314 . . . . 65.430000000000007 110.229 -172.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 172.18 13.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.961 -0.755 . . . . 71.219999999999999 108.961 168.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.92 3.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.118 0.967 . . . . 61.020000000000003 110.2 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 65.140000000000001 104.49 162.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 63.210000000000001 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.329999999999998 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 55.100000000000001 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 55.299999999999997 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.230000000000004 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 74.209999999999994 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' HD21 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.129999999999995 111.054 175.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.129999999999995 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 61.340000000000003 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 60.219999999999999 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 71.109999999999999 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.230000000000004 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.319999999999993 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 61.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 70.109999999999999 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.510000000000005 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 71.109999999999999 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.340000000000003 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 72.409999999999997 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 70.219999999999999 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.420000000000002 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 72.409999999999997 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.510000000000005 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 73.329999999999998 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 73.230000000000004 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.109999999999999 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.439999999999998 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 60.299999999999997 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 ' HG2' ' A' ' 21' ' ' GLU . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.400000000000006 110.236 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 63.219999999999999 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 14' ' ' PHE . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 71.299999999999997 108.275 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.510000000000005 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.530000000000001 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.340000000000003 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 45.030000000000001 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 71.310000000000002 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.400000000000006 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 64.530000000000001 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CD2' HD23 ' A' ' 22' ' ' LEU . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.209999999999994 110.37 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.530000000000001 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 63.109999999999999 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 52.43 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.030000000000001 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 71.239999999999995 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.420000000000002 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 73.329999999999998 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 73.040000000000006 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.93 -38.11 69.86 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.540000000000006 112.276 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -63.49 -22.45 66.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.056 1.753 . . . . 64.120000000000005 112.701 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.89 -10.52 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.34 1.456 . . . . 72.129999999999995 111.227 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.42 70.34 0.17 Allowed 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.332 -1.48 . . . . 73.439999999999998 108.62 167.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -23.1 66.54 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.298 -0.876 . . . . 61.329999999999998 112.817 -172.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 53.79 4.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.168 -1.173 . . . . 63.210000000000001 110.168 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.75 10.13 3.37 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.904 1.352 . . . . 73.310000000000002 112.634 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.5 m 44.45 55.38 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 127.651 2.38 . . . . 53.409999999999997 111.124 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.606 -1.664 . . . . 70.329999999999998 111.073 -166.637 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.587 0 N-CA-C 108.994 -1.642 . . . . 73.209999999999994 108.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.6 80.85 0.41 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.098 -1.445 . . . . 71.25 107.098 164.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.67 164.93 29.63 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.552 2.835 . . . . 64.019999999999996 110.758 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 156.81 27.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 108.04 -2.024 . . . . 54.539999999999999 108.04 167.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.88 147.2 12.5 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 110.307 -1.117 . . . . 74.340000000000003 110.307 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -133.48 77.18 1.71 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 125.413 1.485 . . . . 73.049999999999997 107.876 -167.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 154.35 21.17 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.303 -0.999 . . . . 72.329999999999998 108.303 165.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.19 -164.34 1.97 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.739 1.616 . . . . 60.020000000000003 109.041 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 61.88 16.69 8.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.498 1.519 . . . . 75.439999999999998 114.07 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -157.21 42.34 0.33 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.183 0.993 . . . . 71.450000000000003 110.226 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.35 153.56 25.61 Favored 'General case' 0 C--N 1.333 -0.123 0 O-C-N 120.53 -1.356 . . . . 72.409999999999997 108.699 169.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 161.46 15.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.975 -0.38 . . . . 71.319999999999993 109.975 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.18 59.9 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.271 1.828 . . . . 73.019999999999996 113.704 -170.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.450000000000003 108.021 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 51.32 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.420000000000002 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 64.120000000000005 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 64.319999999999993 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 74.219999999999999 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 74.219999999999999 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 64.450000000000003 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.219999999999999 110.858 163.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.349999999999994 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.430000000000007 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.230000000000004 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 74.319999999999993 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.409999999999997 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.230000000000004 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 72.319999999999993 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 73.230000000000004 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.439999999999998 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.319999999999993 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.239999999999995 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 71.319999999999993 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.019999999999996 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.150000000000006 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.030000000000001 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 70.450000000000003 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.349999999999994 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.420000000000002 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.140000000000001 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.140000000000001 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 55.140000000000001 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 54.530000000000001 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 71.129999999999995 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 65.049999999999997 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.310000000000002 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 65.409999999999997 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.120000000000005 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.310000000000002 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 70.409999999999997 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 45.439999999999998 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 22' ' ' LEU . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.430000000000007 110.446 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.329999999999998 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.409999999999997 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.210000000000001 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.140000000000001 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.239999999999995 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 54.420000000000002 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.340000000000003 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.239999999999995 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -53.03 -40.29 63.81 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.010000000000005 111.957 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.263 4.7 ptt180 -59.53 -28.47 67.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.537 0.94 . . . . 54.450000000000003 113.537 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.0 -28.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.693 1.197 . . . . 74.209999999999994 111.151 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -54.26 -21.63 9.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.897 0.879 . . . . 65.209999999999994 112.595 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 73.77 83.55 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.729 2.411 . . . . 72.329999999999998 109.271 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.3 36.71 2.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 123.685 0.66 . . . . 72.420000000000002 111.707 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -159.84 47.37 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.128 2.171 . . . . 74.049999999999997 107.186 -167.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.45 1.34 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 123.561 0.745 . . . . 63.020000000000003 109.854 164.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.247 0.96 0 C-N-CA 127.479 2.312 . . . . 74.25 107.737 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 CA-C-O 119.395 -0.669 . . . . 61.25 111.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.07 66.98 4.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.932 2.093 . . . . 65.310000000000002 112.756 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -71.0 162.0 44.2 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.164 1.909 . . . . 64.150000000000006 110.667 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.76 100.41 2.58 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.026 -2.03 . . . . 75.140000000000001 108.026 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.2 170.78 20.88 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.615 1.102 . . . . 60.329999999999998 111.213 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.82 174.63 2.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.54 0.67 . . . . 62.310000000000002 111.411 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -130.04 16.98 5.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.46 1.104 . . . . 74.030000000000001 113.471 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 ttm105 -134.75 167.7 20.37 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.36 -0.837 . . . . 71.450000000000003 109.719 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 45.5 28.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.009 1.324 . . . . 72.239999999999995 110.207 -166.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -76.44 32.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.656 1.182 . . . . 63.130000000000003 111.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -146.37 148.41 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.577 2.351 . . . . 73.140000000000001 105.153 170.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -125.39 159.73 31.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.663 -1.236 . . . . 74.140000000000001 107.663 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 95.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.450000000000003 109.006 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 46' ' ' LEU . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 63.200000000000003 106.248 166.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 60.420000000000002 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 44.200000000000003 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.409999999999997 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 43.200000000000003 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.329999999999998 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 62.409999999999997 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.540000000000006 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 62.530000000000001 112.258 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.299999999999997 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 72.299999999999997 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.510000000000005 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 73.109999999999999 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 64.140000000000001 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.129999999999995 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 73.540000000000006 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 73.420000000000002 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 71.540000000000006 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 73.340000000000003 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 53.240000000000002 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.340000000000003 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 61.229999999999997 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 61.409999999999997 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 74.5 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.510000000000005 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 72.340000000000003 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.200000000000003 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.219999999999999 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 64.400000000000006 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.540000000000006 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 62.439999999999998 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 62.329999999999998 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.509999999999998 109.767 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.329999999999998 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 61.409999999999997 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.099999999999994 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.340000000000003 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 63.5 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 71.340000000000003 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.319999999999993 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.299999999999997 110.459 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.340000000000003 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.420000000000002 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.039999999999999 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 64.219999999999999 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 63.020000000000003 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.120000000000005 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 62.130000000000003 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 72.049999999999997 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -56.27 -21.86 26.38 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 64.150000000000006 112.803 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -77.95 -10.98 59.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.279 1.4 . . . . 64.420000000000002 113.527 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.23 -19.68 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.671 1.588 . . . . 42.140000000000001 110.949 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 82.06 0.74 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.95 -0.759 . . . . 72.439999999999998 108.95 -175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.42 81.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.623 1.569 . . . . 60.240000000000002 109.278 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.64 -26.49 9.48 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 126.654 2.073 . . . . 64.319999999999993 111.448 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.93 19.69 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 128.786 2.834 . . . . 64.340000000000003 113.314 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -74.0 3.97 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.129 0.571 . . . . 74.140000000000001 111.06 166.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.261 1.424 . . . . 71.420000000000002 109.402 -153.38 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 109.779 -1.328 . . . . 52.240000000000002 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.06 68.41 75.99 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 118.285 1.042 . . . . 54.32 110.317 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 155.15 44.44 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.012 2.474 . . . . 71.129999999999995 112.435 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 -101.25 0.7 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.72 -2.152 . . . . 74.049999999999997 107.72 168.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.85 98.04 0.13 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.865 -1.294 . . . . 72.319999999999993 109.865 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -66.4 -18.84 65.59 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.159 0.98 . . . . 75.140000000000001 111.679 166.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -163.21 102.2 0.97 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.049 1.339 . . . . 75.049999999999997 107.545 161.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.08 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.91 1.684 . . . . 74.140000000000001 113.279 154.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -114.98 -5.03 12.51 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.205 1.557 . . . . 73.129999999999995 115.205 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -142.3 87.57 2.03 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 60.119999999999997 107.773 -172.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -90.94 3.64 54.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.888 1.44 . . . . 63.340000000000003 114.888 -166.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.61 -175.51 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 125.497 1.519 . . . . 74.010000000000005 108.62 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.77 34.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.171 2.588 . . . . 74.409999999999997 115.205 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.430000000000007 105.563 172.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.439999999999998 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.349999999999994 112.51 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.430000000000007 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.420000000000002 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 55.210000000000001 112.97 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 52.420000000000002 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.020000000000003 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 54' ' ' TRP . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.310000000000002 112.211 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 73.310000000000002 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.439999999999998 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 64.329999999999998 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.329999999999998 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 62.140000000000001 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.229999999999997 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 63.009999999999998 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.010000000000005 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.299999999999997 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.340000000000003 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.409999999999997 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 60.520000000000003 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 51.229999999999997 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 55.210000000000001 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 60.509999999999998 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.230000000000004 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 62.030000000000001 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.239999999999995 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.319999999999993 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.430000000000007 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.439999999999998 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.099999999999994 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 42.399999999999999 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 14' ' ' PHE . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 61.399999999999999 107.841 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.239999999999995 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.200000000000003 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 60.520000000000003 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 53.039999999999999 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.299999999999997 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.400000000000006 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.510000000000005 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.512 ' CG ' HD23 ' A' ' 22' ' ' LEU . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 64.450000000000003 110.44 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.439999999999998 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 62.329999999999998 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 74.340000000000003 109.896 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 63.020000000000003 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 44.409999999999997 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 61.409999999999997 110.25 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.310000000000002 110.119 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -6.41 21.17 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 63.450000000000003 114.153 173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -86.86 -20.6 27.24 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.785 1.629 . . . . 73.019999999999996 112.441 166.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 62' ' ' TRP . 62.0 mt -75.64 -35.59 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.351 1.06 . . . . 71.25 110.939 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 62.62 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.761 2.824 . . . . 55.549999999999997 115.096 -171.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.52 85.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 55.420000000000002 113.681 -160.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 74.75 0.44 Allowed Glycine 0 CA--C 1.524 0.626 0 O-C-N 124.646 1.216 . . . . 75.040000000000006 110.161 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -158.52 26.4 0.24 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.555 2.742 . . . . 62.439999999999998 109.469 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.77 -17.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.746 -0.597 . . . . 63.009999999999998 111.475 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.247 0.974 0 C-N-CA 127.003 2.121 . . . . 64.450000000000003 108.234 177.298 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.693 0 N-CA-C 109.25 -1.54 . . . . 52.409999999999997 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.3 69.91 61.53 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 118.556 1.178 . . . . 51.409999999999997 111.672 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.51 178.6 4.25 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.376 2.051 . . . . 62.409999999999997 112.513 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.37 86.09 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 107.309 -2.316 . . . . 71.120000000000005 107.309 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.18 -174.96 52.98 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 117.56 0.68 . . . . 53.310000000000002 111.59 -173.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -54.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.743 1.217 . . . . 73.540000000000006 109.172 165.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m 58.53 4.97 0.4 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.357 2.263 . . . . 64.120000000000005 115.177 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.65 138.61 42.99 Favored 'General case' 0 C--N 1.341 0.224 0 O-C-N 120.177 -1.577 . . . . 71.540000000000006 110.249 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 75.11 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 127.552 2.341 . . . . 73.519999999999996 113.121 156.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' CG ' HH11 ' A' ' 10' ' ' ARG . 0.0 OUTLIER -49.06 146.49 3.42 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.863 1.665 . . . . 72.340000000000003 111.935 -177.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -121.81 -173.25 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.081 1.752 . . . . 73.329999999999998 109.79 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 155.92 17.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.833 -1.173 . . . . 75.120000000000005 107.833 164.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 101.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.73 1.212 . . . . 73.329999999999998 109.619 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.129999999999995 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.219999999999999 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 72.540000000000006 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 44' ' ' LEU . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.450000000000003 109.447 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.439999999999998 112.997 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 71.510000000000005 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.420000000000002 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 72.349999999999994 113.42 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.340000000000003 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 52.009999999999998 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 72.109999999999999 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.219999999999999 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 55.039999999999999 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.540000000000006 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.310000000000002 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 70.129999999999995 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.040000000000006 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 73.040000000000006 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.140000000000001 108.676 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 65.209999999999994 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.310000000000002 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 62.140000000000001 108.27 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.439999999999998 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.319999999999993 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.329999999999998 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.010000000000005 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.349999999999994 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 63.009999999999998 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 71.120000000000005 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 18' ' ' GLN . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 72.310000000000002 110.932 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.140000000000001 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 61.030000000000001 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 63.119999999999997 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.439999999999998 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.010000000000005 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.040000000000006 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.120000000000005 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 73.030000000000001 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.239999999999995 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 62.350000000000001 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.420000000000002 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.530000000000001 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.450000000000003 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.319999999999993 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 74.140000000000001 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 71.349999999999994 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 54.219999999999999 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.219999999999999 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -24.13 63.72 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 44.229999999999997 113.318 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.6 -24.94 58.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.289 1.404 . . . . 75.319999999999993 112.647 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -72.59 -16.1 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 125.414 1.485 . . . . 75.439999999999998 110.261 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.24 -9.37 2.14 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.274 -1.516 . . . . 72.329999999999998 112.885 169.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 44.74 79.14 0.05 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 127.863 2.465 . . . . 73.129999999999995 110.635 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.65 80.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 109.238 -1.545 . . . . 34.240000000000002 109.238 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -148.51 37.9 0.84 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.3 1.44 . . . . 55.149999999999999 110.388 169.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.264 33.0 m 51.94 29.65 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.349 1.86 . . . . 65.150000000000006 113.445 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 105.333 -2.099 . . . . 53.350000000000001 105.333 176.379 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 N-CA-C 110.178 -1.169 . . . . 45.299999999999997 110.178 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.33 152.73 58.0 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 125.296 1.438 . . . . 74.200000000000003 109.03 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.71 170.79 19.47 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.818 2.345 . . . . 73.230000000000004 111.589 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.61 -11.7 1.88 Allowed Glycine 0 CA--C 1.531 1.037 0 CA-C-O 117.898 -1.501 . . . . 64.430000000000007 114.427 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.1 103.62 0.9 Allowed Glycine 0 C--N 1.341 0.832 0 CA-C-N 120.488 2.144 . . . . 70.120000000000005 112.904 -163.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -157.29 41.17 0.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.052 1.341 . . . . 44.32 112.241 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -134.06 159.08 41.88 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.016 -1.052 . . . . 53.119999999999997 111.125 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -111.49 132.24 54.63 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.62 -1.252 . . . . 53.520000000000003 107.62 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -157.84 173.49 16.72 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.597 -1.26 . . . . 72.109999999999999 107.597 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -125.84 4.33 7.36 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.215 1.006 . . . . 64.239999999999995 112.269 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.84 -178.64 6.13 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 127.284 2.234 . . . . 62.399999999999999 105.39 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 m -132.04 166.2 22.26 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.996 -1.853 . . . . 72.129999999999995 105.996 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 85.43 0.39 Allowed 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.75 0.705 . . . . 51.340000000000003 110.04 -176.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 22' ' ' LEU . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 64.109999999999999 104.33 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 53.130000000000003 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.400000000000006 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.409999999999997 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 72.299999999999997 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.239999999999995 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.340000000000003 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.200000000000003 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.430000000000007 110.919 173.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 74.400000000000006 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 54.0 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.329999999999998 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.430000000000007 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.200000000000003 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 60.439999999999998 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 72.129999999999995 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.0 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.239999999999995 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.230000000000004 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 63.210000000000001 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 63.0 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.239999999999995 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.409999999999997 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.010000000000005 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 52.530000000000001 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.109999999999999 110.367 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 62.229999999999997 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 43.200000000000003 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 74.319999999999993 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.439999999999998 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 74.319999999999993 110.754 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 71.120000000000005 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.099999999999994 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 52' ' ' LYS . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 61.130000000000003 109.991 -169.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.430000000000007 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 41' ' ' ALA . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.019999999999996 110.359 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 49' ' ' VAL . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.239999999999995 110.322 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.209999999999994 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 63.32 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.310000000000002 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 71.409999999999997 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 72.310000000000002 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.239999999999995 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.200000000000003 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 33.439999999999998 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 73.230000000000004 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.430000000000007 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -54.08 -40.26 67.05 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.310000000000002 112.39 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -55.28 -35.42 65.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.502 0.927 . . . . 64.439999999999998 113.502 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.72 -24.39 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.809 1.644 . . . . 61.399999999999999 111.231 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -64.17 -11.42 30.43 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.536 -1.353 . . . . 75.030000000000001 111.725 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.99 -58.41 0.57 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 130.222 3.409 . . . . 74.019999999999996 109.592 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 -169.17 32.95 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.181 -1.168 . . . . 75.310000000000002 110.181 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 49.73 44.16 24.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.41 1.484 . . . . 74.010000000000005 113.48 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t 54.78 34.05 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.395 1.478 . . . . 75.010000000000005 111.224 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.252 1.196 0 C-N-CA 128.053 2.541 . . . . 74.340000000000003 109.833 179.05 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 108.738 -1.745 . . . . 72.409999999999997 108.738 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 165.14 14.12 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 117.676 0.738 . . . . 61.140000000000001 109.544 161.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.9 170.41 10.27 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.468 2.112 . . . . 72.299999999999997 110.481 161.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.23 56.25 0.48 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.641 -1.384 . . . . 61.350000000000001 109.641 -173.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.83 120.56 0.14 Allowed Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.446 1.022 . . . . 44.32 111.226 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -137.54 45.74 2.16 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.514 -0.992 . . . . 73.329999999999998 112.8 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.48 158.12 41.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 72.239999999999995 110.985 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 174.35 147.36 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.09 3.356 . . . . 74.219999999999999 107.796 166.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -154.62 78.79 1.08 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.361 -0.978 . . . . 74.319999999999993 108.361 163.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -133.77 127.04 31.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.422 1.489 . . . . 62.340000000000003 109.616 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 45.56 84.07 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 127.554 2.342 . . . . 74.219999999999999 110.208 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 163.52 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.546 1.938 . . . . 62.240000000000002 111.645 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 95.19 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.726 1.61 . . . . 74.019999999999996 110.299 164.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.439999999999998 106.665 169.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.439999999999998 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.329999999999998 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.299999999999997 108.323 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 71.109999999999999 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 72.299999999999997 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.329999999999998 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.319999999999993 112.235 175.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.420000000000002 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.329999999999998 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 55.229999999999997 112.557 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.340000000000003 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.329999999999998 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.020000000000003 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.009999999999998 109.03 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 62.009999999999998 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 63.32 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 74.409999999999997 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.019999999999996 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 62.229999999999997 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.030000000000001 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 63.039999999999999 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.430000000000007 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.299999999999997 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 73.129999999999995 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.420000000000002 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 64.140000000000001 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.010000000000005 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 62.0 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 18' ' ' GLN . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.430000000000007 109.548 -173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.230000000000004 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 14' ' ' PHE . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 52.340000000000003 110.269 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 64.019999999999996 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.420000000000002 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.439999999999998 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 62.420000000000002 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.409999999999997 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 70.200000000000003 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.239999999999995 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 22' ' ' LEU . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 41.409999999999997 110.847 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 74.219999999999999 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 72.409999999999997 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.230000000000004 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 71.109999999999999 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 62.030000000000001 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.409999999999997 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 55.509999999999998 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.329999999999998 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -66.04 -13.5 60.05 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.430000000000007 113.544 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -18.15 64.56 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 120.378 -1.451 . . . . 73.430000000000007 113.748 167.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.64 -33.86 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 124.689 1.196 . . . . 74.230000000000004 110.693 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -61.63 80.11 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 126.416 1.886 . . . . 72.310000000000002 111.411 -173.021 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.45 -62.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.443 1.897 . . . . 54.340000000000003 108.817 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.38 -52.0 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 108.421 -1.872 . . . . 34.039999999999999 108.421 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -140.61 34.66 1.82 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.091 1.356 . . . . 74.430000000000007 112.944 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.351 2.9 p 63.94 8.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 127.777 2.431 . . . . 74.349999999999994 116.595 175.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-N 119.877 1.217 . . . . 75.310000000000002 109.379 161.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 109.724 -1.35 . . . . 74.129999999999995 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.94 85.91 5.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.507 1.523 . . . . 63.229999999999997 107.816 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.41 -50.51 2.59 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.659 1.573 . . . . 61.450000000000003 110.028 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 74.38 0.18 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 106.765 -2.534 . . . . 63.130000000000003 106.765 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.23 -164.16 54.25 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-O 121.948 0.749 . . . . 72.340000000000003 112.875 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -60.33 166.54 2.95 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.74 1.616 . . . . 74.340000000000003 111.662 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -156.9 156.47 33.15 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.774 0.797 . . . . 75.329999999999998 109.841 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmt-85 -84.24 163.82 19.45 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.459 -0.941 . . . . 75.349999999999994 108.459 165.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -130.52 141.99 50.48 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.365 -0.976 . . . . 62.530000000000001 108.365 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -79.3 112.71 16.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.257 -1.386 . . . . 74.540000000000006 107.257 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 14.21 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.085 0.954 . . . . 74.209999999999994 111.381 174.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m 74.55 166.14 0.29 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.986 1.715 . . . . 62.229999999999997 110.691 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.3 79.1 3.82 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.892 -1.13 . . . . 40.329999999999998 108.989 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.329999999999998 106.23 173.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 72.030000000000001 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.329999999999998 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 53.420000000000002 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 73.219999999999999 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 54.229999999999997 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.319999999999993 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.310000000000002 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.230000000000004 110.935 170.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 64.530000000000001 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 63.350000000000001 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.209999999999994 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' A' ' 58' ' ' GLU . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.349999999999994 113.22 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 73.549999999999997 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 53.229999999999997 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.120000000000005 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 63.310000000000002 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 72.239999999999995 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.450000000000003 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.229999999999997 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.310000000000002 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.109999999999999 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.450000000000003 110.745 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 48' ' ' GLU . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 73.310000000000002 113.809 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 50.219999999999999 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.310000000000002 108.963 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 65.25 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 31.32 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.209999999999994 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 72.310000000000002 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.109999999999999 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.430000000000007 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 61.329999999999998 109.693 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.120000000000005 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 37' ' ' ARG . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.439999999999998 111.774 172.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.450000000000003 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.450000000000003 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 61.109999999999999 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.420000000000002 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 63.219999999999999 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 63.420000000000002 109.499 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.140000000000001 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.230000000000004 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 61.340000000000003 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 26' ' ' PHE . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.549999999999997 109.06 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 70.209999999999994 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.140000000000001 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 70.349999999999994 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.540000000000006 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.66 -11.72 38.52 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 72.310000000000002 113.115 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -79.14 -10.36 59.8 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.229 1.377 . . . . 70.540000000000006 112.547 172.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.8 mt -109.07 -1.17 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 126.458 1.903 . . . . 74.239999999999995 110.431 -169.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 49.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.327 -1.483 . . . . 72.209999999999994 113.664 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 19.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 129.499 3.12 . . . . 73.420000000000002 114.471 -167.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.05 40.33 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.738 2.59 . . . . 45.409999999999997 115.101 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.27 19.64 2.95 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.412 1.885 . . . . 74.510000000000005 110.96 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.339 5.8 p 53.69 20.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 127.287 2.235 . . . . 65.400000000000006 114.201 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.994 2.518 . . . . 74.430000000000007 110.932 -179.456 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 CA-C-O 118.897 -0.946 . . . . 43.329999999999998 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.75 55.49 12.13 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 126.648 1.979 . . . . 75.420000000000002 114.224 169.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.03 160.84 42.56 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.655 2.237 . . . . 74.420000000000002 111.869 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.93 51.8 0.1 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.106 -1.198 . . . . 75.030000000000001 110.106 -176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 147.26 49.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.714 -0.954 . . . . 73.239999999999995 110.714 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.43 146.03 4.07 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 127.457 2.303 . . . . 71.439999999999998 107.787 171.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -60.65 149.42 35.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.171 0.588 . . . . 53.439999999999998 109.769 168.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 100.62 5.96 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.452 -1.405 . . . . 61.350000000000001 109.132 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -75.85 175.24 8.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.316 1.446 . . . . 72.409999999999997 109.669 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 48.56 74.29 0.18 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.89 2.476 . . . . 64.329999999999998 110.655 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.76 127.54 8.82 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.983 0.913 . . . . 75.349999999999994 109.114 177.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 168.57 3.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.686 1.994 . . . . 50.340000000000003 109.327 167.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.82 78.7 6.06 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.872 -1.767 . . . . 70.140000000000001 111.308 -171.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.340000000000003 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.430000000000007 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.219999999999999 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.530000000000001 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.578 ' HA ' HD22 ' A' ' 44' ' ' LEU . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 74.310000000000002 108.379 -174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 72.239999999999995 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 54.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 74.329999999999998 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 73.530000000000001 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 60.329999999999998 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 74.209999999999994 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.140000000000001 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.150000000000006 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 64.129999999999995 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.340000000000003 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 74.409999999999997 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.329999999999998 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.230000000000004 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 71.319999999999993 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.420000000000002 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 60.530000000000001 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.450000000000003 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 54.039999999999999 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 64.209999999999994 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 71.519999999999996 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 72.510000000000005 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.109999999999999 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 73.340000000000003 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.450000000000003 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 73.540000000000006 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.510000000000005 111.802 -173.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 64.420000000000002 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.540000000000006 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 65.150000000000006 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.530000000000001 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.030000000000001 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 70.319999999999993 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 63.149999999999999 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.349999999999994 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 53.219999999999999 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.540000000000006 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.219999999999999 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 52.119999999999997 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 72.310000000000002 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 53.219999999999999 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 72.439999999999998 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 71.439999999999998 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.019999999999996 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.209999999999994 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -21.23 64.27 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.450000000000003 113.309 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -81.82 -10.84 59.21 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.846 1.203 . . . . 73.349999999999994 112.424 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.8 mt -81.36 -16.74 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 124.72 1.208 . . . . 71.140000000000001 110.498 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.26 79.15 0.06 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.092 0.957 . . . . 63.149999999999999 108.785 171.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.376 1.47 . . . . 75.129999999999995 109.159 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.32 18.66 76.96 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 125.659 1.599 . . . . 73.019999999999996 113.065 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -162.81 147.41 11.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.459 2.304 . . . . 73.420000000000002 106.868 173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.76 32.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 125.981 1.713 . . . . 64.239999999999995 113.077 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.333 -1.317 . . . . 53.109999999999999 111.862 -170.52 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 CA-C-O 121.373 0.43 . . . . 50.399999999999999 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.65 164.99 19.94 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 125.694 1.597 . . . . 71.530000000000001 108.53 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -63.98 150.56 88.1 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.765 1.644 . . . . 53.100000000000001 110.76 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 -36.83 32.78 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.912 -1.275 . . . . 72.200000000000003 109.912 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.56 -132.12 51.51 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 124.717 1.151 . . . . 22.239999999999998 111.122 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 51.76 21.37 1.37 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.25 1.82 . . . . 72.319999999999993 113.487 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -148.36 85.28 1.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.106 1.362 . . . . 74.530000000000001 108.765 -167.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -126.96 -10.39 6.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.559 1.144 . . . . 72.540000000000006 113.043 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.2 112.16 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 123.878 0.871 . . . . 74.439999999999998 108.844 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -139.24 20.79 2.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.149 1.38 . . . . 73.409999999999997 111.108 164.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 168.15 20.49 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.253 -1.529 . . . . 74.219999999999999 109.819 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.64 -175.0 4.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 42.100000000000001 110.355 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.26 82.31 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.618 -1.301 . . . . 50.509999999999998 110.869 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 50.5 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.310000000000002 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.140000000000001 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 62.240000000000002 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.140000000000001 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.030000000000001 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 70.209999999999994 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.140000000000001 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.209999999999994 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 71.019999999999996 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.200000000000003 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.340000000000003 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 72.209999999999994 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 73.430000000000007 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.099999999999994 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.329999999999998 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.509999999999998 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 43.240000000000002 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 55' ' ' PHE . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.310000000000002 108.941 170.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.400000000000006 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 54.5 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 44.109999999999999 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.209999999999994 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.010000000000005 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.109999999999999 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 64.120000000000005 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.120000000000005 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 70.140000000000001 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.430000000000007 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 64.0 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.129999999999995 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 61.200000000000003 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.030000000000001 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 72.239999999999995 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 71.019999999999996 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.030000000000001 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 73.400000000000006 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 54.439999999999998 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.019999999999996 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.099999999999994 111.054 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 63.219999999999999 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 65.120000000000005 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 72.219999999999999 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.099999999999994 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.120000000000005 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.400000000000006 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 72.109999999999999 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.58 1.11 0.4 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.109999999999999 113.819 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -111.68 -12.2 13.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.934 1.294 . . . . 74.219999999999999 111.938 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.61 -79.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 103.903 -2.628 . . . . 73.120000000000005 103.903 164.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER 45.66 -6.01 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.504 2.722 . . . . 53.229999999999997 116.817 -168.515 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 48.27 37.05 7.7 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.85 2.06 . . . . 50.229999999999997 112.888 -171.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.94 69.51 3.36 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.721 -1.352 . . . . 62.310000000000002 109.721 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.06 32.51 0.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.703 1.601 . . . . 70.099999999999994 107.126 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.59 -10.29 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.055 -1.028 . . . . 74.409999999999997 110.952 -174.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.397 2.279 . . . . 73.519999999999996 109.326 171.617 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 109.636 -1.386 . . . . 43.140000000000001 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 42.31 68.45 2.73 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.817 . . . . 34.229999999999997 113.28 150.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.63 144.04 35.01 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.709 1.606 . . . . 73.140000000000001 110.065 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 12.93 4.59 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.27 0.938 . . . . 32.43 113.586 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.5 162.57 29.37 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.743 -1.343 . . . . 51.509999999999998 109.743 169.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -132.73 157.76 44.1 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.024 1.33 . . . . 55.5 108.294 167.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m 65.91 -34.74 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.816 2.446 . . . . 52.100000000000001 116.506 167.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 48.23 51.0 15.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.962 1.705 . . . . 72.430000000000007 113.312 160.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -133.16 155.85 48.55 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.493 -1.379 . . . . 52.009999999999998 110.514 -169.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 46.89 -178.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.565 2.346 . . . . 75.439999999999998 113.167 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.24 162.53 25.63 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 120.439 -1.413 . . . . 71.409999999999997 109.354 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 12' ' ' THR . 31.8 m -94.97 26.0 3.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.533 1.533 . . . . 52.210000000000001 112.859 173.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 74.97 34.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.112 0.782 . . . . 64.510000000000005 113.112 156.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 53.240000000000002 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 63.130000000000003 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.510000000000005 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.349999999999994 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.239999999999995 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 55.030000000000001 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 70.109999999999999 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 55.329999999999998 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.549999999999997 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 73.310000000000002 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 72.340000000000003 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 73.349999999999994 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.329999999999998 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 61.350000000000001 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 24.129999999999999 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.549999999999997 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.439999999999998 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.040000000000006 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 60.539999999999999 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.420000000000002 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.239999999999995 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.129999999999995 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.140000000000001 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 64.450000000000003 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 74.109999999999999 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 60.140000000000001 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 53.009999999999998 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 63.549999999999997 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 72.349999999999994 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 61.310000000000002 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 73.349999999999994 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.439999999999998 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 51.140000000000001 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.340000000000003 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 62.409999999999997 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.409999999999997 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.230000000000004 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 53.109999999999999 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.040000000000006 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.409999999999997 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.430000000000007 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.519999999999996 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 73.439999999999998 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.040000000000006 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 71.430000000000007 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.329999999999998 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.219999999999999 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 55.229999999999997 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.450000000000003 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.35 -27.83 66.29 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.239999999999995 112.394 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.93 -23.63 65.1 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 119.807 1.185 . . . . 62.130000000000003 113.403 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.5 mm -60.93 -34.9 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.876 1.271 . . . . 61.340000000000003 111.559 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 82.26 0.36 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.825 1.25 . . . . 74.319999999999993 108.354 -172.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.76 -62.31 1.74 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.146 1.778 . . . . 64.230000000000004 108.641 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.7 -25.63 1.05 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.64 -0.709 . . . . 73.420000000000002 114.162 174.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.51 38.77 3.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.827 1.651 . . . . 72.409999999999997 108.396 -169.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -69.31 -18.43 22.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 O-C-N 121.441 -0.787 . . . . 72.329999999999998 110.49 158.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.25 1.13 0 N-CA-C 103.988 -2.597 . . . . 74.310000000000002 103.988 162.034 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 110.824 -0.911 . . . . 72.030000000000001 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.73 57.81 12.84 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.308 1.843 . . . . 75.430000000000007 113.874 165.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.17 -55.5 1.86 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.683 2.922 . . . . 61.020000000000003 112.936 -164.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.6 156.12 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.43 -2.668 . . . . 72.019999999999996 106.43 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.71 -102.65 0.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 118.269 1.034 . . . . 71.040000000000006 112.431 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -117.93 95.69 5.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.675 -1.231 . . . . 73.019999999999996 107.675 -162.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 m -143.98 -85.17 0.14 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 34.25 110.147 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -63.74 149.76 46.01 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.717 -0.845 . . . . 74.329999999999998 108.717 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 67.06 174.49 0.25 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.038 0.935 . . . . 73.019999999999996 111.853 168.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 57.75 74.88 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.801 1.64 . . . . 73.409999999999997 111.698 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -72.78 -164.71 0.17 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.214 1.006 . . . . 72.140000000000001 111.264 165.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -129.56 161.15 31.17 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 128.937 2.895 . . . . 52.5 107.824 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 96.15 0.92 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 51.130000000000003 107.857 171.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 65.040000000000006 104.402 168.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.439999999999998 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.140000000000001 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.409999999999997 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 64.5 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.299999999999997 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.510000000000005 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.430000000000007 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' CD2' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 74.140000000000001 112.155 171.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 73.540000000000006 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 64.0 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.319999999999993 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.439999999999998 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 44.399999999999999 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.109999999999999 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 34.039999999999999 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.310000000000002 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 64.409999999999997 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.109999999999999 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 60.140000000000001 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.450000000000003 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.439999999999998 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.010000000000005 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.420000000000002 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.219999999999999 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 71.430000000000007 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 60.0 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.420000000000002 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.140000000000001 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 63.340000000000003 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.519999999999996 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 61.100000000000001 110.562 -170.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.439999999999998 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 61.240000000000002 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 71.400000000000006 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.319999999999993 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 63.0 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.230000000000004 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 74.340000000000003 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.632 ' CD2' HD23 ' A' ' 22' ' ' LEU . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.400000000000006 109.947 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 74.120000000000005 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.340000000000003 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.319999999999993 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.219999999999999 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.109999999999999 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.299999999999997 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.129999999999995 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -68.99 -1.22 6.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.400000000000006 113.567 171.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -78.66 -25.64 44.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 121.71 2.05 . . . . 63.0 109.386 165.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.66 -83.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 126.703 2.001 . . . . 75.340000000000003 106.742 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.47 36.16 1.58 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.99 1.716 . . . . 73.209999999999994 111.845 -172.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.24 61.24 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.4 -0.813 . . . . 60.420000000000002 113.119 -173.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.32 -52.92 0.68 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.676 -2.17 . . . . 75.230000000000004 107.676 -156.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 t30 55.45 49.74 16.18 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.594 1.958 . . . . 75.140000000000001 109.841 -172.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.97 19.97 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.348 2.659 . . . . 73.430000000000007 109.216 170.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.466 -1.309 . . . . 73.109999999999999 107.466 157.291 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 111.024 -0.831 . . . . 53.509999999999998 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.05 57.55 13.39 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.078 1.751 . . . . 71.030000000000001 115.483 163.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -64.21 164.59 22.17 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.931 2.421 . . . . 70.439999999999998 111.31 -176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 -95.82 0.12 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.748 -1.341 . . . . 53.140000000000001 109.748 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.36 -58.06 4.07 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.76 1.172 . . . . 72.310000000000002 111.789 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -51.91 119.6 4.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.56 2.344 . . . . 64.420000000000002 111.546 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -151.94 143.54 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.819 1.648 . . . . 70.219999999999999 109.406 160.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.48 115.73 5.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.679 1.992 . . . . 73.439999999999998 106.891 168.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -163.61 160.81 23.34 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.601 1.56 . . . . 65.219999999999999 108.693 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -79.66 112.16 16.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 118.709 0.686 . . . . 60.340000000000003 109.656 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -121.43 162.08 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.645 1.178 . . . . 73.329999999999998 108.201 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -69.81 149.57 47.79 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.24 -1.022 . . . . 53.219999999999999 108.24 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.42 97.57 0.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.025 1.33 . . . . 54.439999999999998 109.77 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 62.409999999999997 105.879 164.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 44.439999999999998 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 70.120000000000005 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.329999999999998 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 44' ' ' LEU . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 65.349999999999994 109.135 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.329999999999998 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.129999999999995 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HG3' HD21 ' A' ' 44' ' ' LEU . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.430000000000007 109.528 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.010000000000005 112.776 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.049999999999997 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 62.350000000000001 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 72.430000000000007 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 62.039999999999999 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 70.030000000000001 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.430000000000007 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.239999999999995 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 72.340000000000003 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.350000000000001 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 71.209999999999994 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 74.120000000000005 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 71.450000000000003 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.439999999999998 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.439999999999998 109.415 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.310000000000002 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 71.129999999999995 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.450000000000003 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 63.450000000000003 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.030000000000001 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.030000000000001 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.239999999999995 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 18' ' ' GLN . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.439999999999998 111.519 -175.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 52.530000000000001 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.109999999999999 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.040000000000006 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 62.109999999999999 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.209999999999994 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 72.319999999999993 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 72.010000000000005 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.219999999999999 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD2' HD23 ' A' ' 22' ' ' LEU . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 73.040000000000006 110.246 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.340000000000003 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.319999999999993 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.409999999999997 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.439999999999998 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.030000000000001 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.430000000000007 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.310000000000002 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.299999999999997 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -58.11 -25.49 61.43 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.019999999999996 113.561 172.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -69.17 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 121.283 1.856 . . . . 61.219999999999999 112.786 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.29 -42.28 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 120.914 -1.116 . . . . 74.030000000000001 109.413 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.75 -4.4 2.05 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.83 1.048 . . . . 74.019999999999996 113.83 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 75.2 -4.5 2.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.049 2.14 . . . . 62.399999999999999 115.082 156.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 55.19 4.68 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.754 -1.738 . . . . 74.010000000000005 108.754 -166.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.33 86.44 0.17 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.457 1.903 . . . . 74.109999999999999 108.297 174.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.1 t 52.83 31.84 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 125.968 1.707 . . . . 72.439999999999998 111.702 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.249 1.055 0 C-N-CA 127.909 2.484 . . . . 64.030000000000001 111.681 170.899 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.805 -0.518 . . . . 51.109999999999999 111.805 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.87 85.4 0.18 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 129.188 2.995 . . . . 73.530000000000001 114.438 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.29 -54.47 1.74 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.721 2.281 . . . . 74.450000000000003 111.143 172.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.02 11.71 71.41 Favored Glycine 0 CA--C 1.523 0.536 0 O-C-N 121.009 -1.057 . . . . 72.549999999999997 112.371 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.95 127.04 24.47 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 118.976 1.388 . . . . 72.120000000000005 110.244 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -153.72 53.29 0.71 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.928 0.891 . . . . 64.219999999999999 109.646 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 93.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.769 1.227 . . . . 70.219999999999999 113.203 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -140.37 128.7 22.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.739 0.816 . . . . 74.310000000000002 108.883 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -131.6 173.55 11.01 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.073 0.949 . . . . 72.230000000000004 109.949 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -150.39 45.04 0.88 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.633 1.106 . . . . 75.049999999999997 113.937 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -147.62 65.12 1.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.003 -1.061 . . . . 73.140000000000001 111.755 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 173.2 5.23 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.09 0.859 . . . . 43.140000000000001 110.718 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.54 37.24 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.696 1.599 . . . . 64.019999999999996 114.216 -171.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.430000000000007 104.761 173.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.439999999999998 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 71.400000000000006 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 71.200000000000003 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 73.120000000000005 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.439999999999998 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 73.219999999999999 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 71.239999999999995 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.439999999999998 112.605 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 61.299999999999997 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.310000000000002 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.109999999999999 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 65.439999999999998 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.430000000000007 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.219999999999999 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 71.010000000000005 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.420000000000002 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 44.229999999999997 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.140000000000001 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 73.430000000000007 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.219999999999999 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.010000000000005 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.420000000000002 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 65.420000000000002 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.229999999999997 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 70.230000000000004 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 63.340000000000003 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 71.120000000000005 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.310000000000002 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.010000000000005 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 73.439999999999998 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.230000000000004 110.316 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.040000000000006 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.109999999999999 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.540000000000006 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 71.340000000000003 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 61.439999999999998 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 71.319999999999993 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.430000000000007 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 64.209999999999994 109.434 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 71.129999999999995 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 70.219999999999999 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 64.120000000000005 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.340000000000003 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.219999999999999 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 71.109999999999999 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 72.319999999999993 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 70.109999999999999 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -56.35 -33.08 65.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 72.439999999999998 112.121 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -66.1 -23.16 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.546 1.067 . . . . 72.510000000000005 112.908 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -69.28 -26.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 124.407 1.083 . . . . 71.430000000000007 110.556 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 87.72 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 127.039 2.135 . . . . 70.420000000000002 109.759 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.07 65.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.77 2.028 . . . . 62.340000000000003 111.807 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.95 -150.35 51.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.102 -1.599 . . . . 74.099999999999994 109.102 -168.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.25 44.17 0.47 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.363 1.077 . . . . 72.239999999999995 108.138 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.83 -10.48 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 123.786 0.835 . . . . 73.530000000000001 110.242 168.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--O 1.245 0.831 0 N-CA-C 107.02 -1.474 . . . . 74.209999999999994 107.02 165.194 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 110.487 -1.045 . . . . 41.340000000000003 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 165.39 35.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.945 2.098 . . . . 52.420000000000002 107.514 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -68.91 -176.76 1.35 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.709 2.273 . . . . 71.049999999999997 112.728 -177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.11 -33.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.375 0.988 . . . . 40.299999999999997 112.821 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.59 -67.54 2.48 Favored Glycine 0 CA--C 1.523 0.535 0 O-C-N 121.01 -1.288 . . . . 44.200000000000003 111.183 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.44 145.39 49.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.347 1.573 . . . . 74.109999999999999 108.309 165.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -140.12 -84.13 0.23 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.408 1.083 . . . . 71.340000000000003 108.822 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -132.91 41.07 3.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.377 1.444 . . . . 75.209999999999994 114.084 -162.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -74.32 -72.14 0.3 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 120.999 -1.063 . . . . 73.420000000000002 110.325 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -158.58 -174.19 4.66 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.06 0.845 . . . . 74.430000000000007 110.166 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 167.54 0.23 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.125 0.97 . . . . 64.549999999999997 110.601 166.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -126.74 171.59 11.06 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.528 1.131 . . . . 73.519999999999996 108.29 172.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 102.34 0.27 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.814 0.846 . . . . 63.5 109.444 171.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 22' ' ' LEU . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.319999999999993 104.833 160.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 61.439999999999998 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.119999999999997 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.310000000000002 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.439999999999998 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.439999999999998 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.450000000000003 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.230000000000004 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.239999999999995 111.159 175.682 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 72.140000000000001 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 73.439999999999998 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.310000000000002 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 71.450000000000003 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 72.319999999999993 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 64.510000000000005 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 53.009999999999998 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.150000000000006 112.193 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.450000000000003 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 72.329999999999998 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.319999999999993 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.230000000000004 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.340000000000003 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.230000000000004 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 60.130000000000003 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.329999999999998 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.319999999999993 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.149999999999999 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.310000000000002 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 72.329999999999998 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 60.450000000000003 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 64.129999999999995 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 71.349999999999994 110.323 -174.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.430000000000007 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.219999999999999 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.049999999999997 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.439999999999998 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 72.129999999999995 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 55.32 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.699 ' CD2' HD23 ' A' ' 22' ' ' LEU . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 73.140000000000001 110.137 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 73.349999999999994 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.519999999999996 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.140000000000001 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 74.140000000000001 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.209999999999994 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.409999999999997 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 72.310000000000002 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 62.310000000000002 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -24.89 63.87 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.549999999999997 113.597 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.259 13.7 ptt180 -60.35 -26.72 66.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.227 1.376 . . . . 71.219999999999999 113.887 174.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.2 mt -73.75 -2.02 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 128.023 2.529 . . . . 73.109999999999999 111.661 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 53.57 0.06 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 119.958 -1.714 . . . . 72.530000000000001 112.925 168.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.68 -57.04 13.63 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.65 1.98 . . . . 51.030000000000001 111.465 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 67.28 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.519 2.485 . . . . 73.409999999999997 110.512 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -168.33 28.46 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 128.222 2.609 . . . . 61.25 107.753 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.84 -17.2 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.286 -0.884 . . . . 73.439999999999998 110.143 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.253 1.262 0 N-CA-C 105.983 -1.858 . . . . 72.129999999999995 105.983 -122.755 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.338 -0.705 . . . . 72.400000000000006 111.338 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.8 34.16 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.246 1.018 . . . . 74.540000000000006 110.303 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -60.34 112.22 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.16 1.907 . . . . 60.140000000000001 108.685 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.96 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 107.412 -2.275 . . . . 54.409999999999997 107.412 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.08 154.19 50.54 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-O 121.372 0.429 . . . . 74.5 112.15 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 179.74 4.11 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.847 1.659 . . . . 75.239999999999995 108.395 176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -94.7 -50.43 5.17 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.465 -0.772 . . . . 72.230000000000004 109.021 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 54.55 18.03 1.85 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.203 1.401 . . . . 63.5 113.615 -172.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -112.94 -26.87 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.861 1.43 . . . . 62.520000000000003 114.861 -172.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -134.23 77.92 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.105 1.775 . . . . 73.430000000000007 111.89 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 179.61 147.03 0.22 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.653 1.981 . . . . 74.299999999999997 108.758 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -78.59 -166.87 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.536 1.135 . . . . 74.200000000000003 110.166 173.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 34.45 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.64 1.976 . . . . 51.439999999999998 114.622 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.430000000000007 107.021 175.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.319999999999993 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.340000000000003 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 74.319999999999993 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.689 ' HA ' HD13 ' A' ' 44' ' ' LEU . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 73.310000000000002 110.099 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 61.130000000000003 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 62.340000000000003 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 44' ' ' LEU . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.530000000000001 109.546 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 54' ' ' TRP . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.310000000000002 111.041 174.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.530000000000001 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 74.510000000000005 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.349999999999994 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.349999999999994 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 62.350000000000001 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.409999999999997 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.319999999999993 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.409999999999997 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 72.340000000000003 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 71.409999999999997 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.421 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.420000000000002 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.010000000000005 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.340000000000003 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 64.519999999999996 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.349999999999994 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 74.530000000000001 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.219999999999999 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.349999999999994 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 63.539999999999999 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 63.539999999999999 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.409999999999997 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 18' ' ' GLN . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.200000000000003 110.972 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.530000000000001 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 61.439999999999998 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 55.100000000000001 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.040000000000006 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.430000000000007 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.400000000000006 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.430000000000007 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 64.340000000000003 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.310000000000002 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.439999999999998 109.684 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 54.340000000000003 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 71.349999999999994 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.040000000000006 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.230000000000004 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.540000000000006 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 53.310000000000002 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.109999999999999 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.349999999999994 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.42 -20.45 30.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.439999999999998 112.89 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -77.45 -22.23 51.72 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.007 1.73 . . . . 71.150000000000006 112.931 171.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.03 -1.34 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 125.325 1.45 . . . . 74.140000000000001 110.926 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -51.01 -15.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.177 -1.577 . . . . 75.140000000000001 114.136 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.04 -11.82 16.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 115.439 1.644 . . . . 72.420000000000002 115.439 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 34.98 2.92 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-O 118.924 -0.931 . . . . 64.510000000000005 111.838 -174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.78 13.66 1.17 Allowed 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 118.625 1.213 . . . . 73.349999999999994 112.783 -169.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.2 13.08 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.31 1.444 . . . . 72.109999999999999 110.459 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.246 0.9 0 C-N-CA 126.114 1.766 . . . . 75.239999999999995 108.166 169.334 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.867 -0.893 . . . . 61.340000000000003 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.08 75.76 0.52 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.268 1.827 . . . . 63.539999999999999 111.026 -161.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.64 75.87 2.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.68 2.92 . . . . 73.409999999999997 109.441 173.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 107.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.874 -1.291 . . . . 53.340000000000003 109.874 -170.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.36 54.76 0.12 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 125.365 1.46 . . . . 72.230000000000004 109.739 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 112.8 22.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.821 0.81 . . . . 72.540000000000006 109.137 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.81 131.44 33.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.055 0.843 . . . . 75.219999999999999 109.91 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -144.57 51.81 1.26 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.059 -1.026 . . . . 74.299999999999997 110.36 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -144.92 -175.33 4.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.106 0.962 . . . . 75.150000000000006 108.409 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 62.31 35.66 15.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.24 1.416 . . . . 73.120000000000005 112.736 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -113.42 -175.97 2.79 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.518 1.527 . . . . 64.209999999999994 109.563 -173.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.25 175.42 5.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.933 1.293 . . . . 74.450000000000003 107.664 168.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.71 71.42 7.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.236 1.014 . . . . 53.509999999999998 111.435 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 62.350000000000001 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 63.119999999999997 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.319999999999993 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.430000000000007 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HA ' HD22 ' A' ' 44' ' ' LEU . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 62.219999999999999 108.598 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 74.340000000000003 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.140000000000001 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.340000000000003 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.409999999999997 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.319999999999993 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 74.310000000000002 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.030000000000001 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 55.200000000000003 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 63.0 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.099999999999994 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.340000000000003 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.200000000000003 113.798 167.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.109999999999999 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.200000000000003 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 60.310000000000002 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.239999999999995 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 62.039999999999999 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.099999999999994 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.109999999999999 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 63.210000000000001 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.310000000000002 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 53.310000000000002 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 71.430000000000007 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.409999999999997 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 18' ' ' GLN . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 71.450000000000003 110.836 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.109999999999999 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 61.109999999999999 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.329999999999998 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' HE2' ' A' ' 52' ' ' LYS . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 73.230000000000004 109.581 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.150000000000006 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 64.120000000000005 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HE2' HG13 ' A' ' 49' ' ' VAL . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 71.040000000000006 109.998 -177.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 73.120000000000005 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD2' HD23 ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.340000000000003 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.040000000000006 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.430000000000007 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.109999999999999 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.420000000000002 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 63.329999999999998 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.540000000000006 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.120000000000005 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.140000000000001 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -65.24 -8.17 16.4 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 73.430000000000007 113.394 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.25 9.84 36.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 121.058 1.754 . . . . 75.430000000000007 111.196 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.51 -14.08 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.945 2.098 . . . . 75.540000000000006 110.76 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 77.17 0.2 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.909 -1.119 . . . . 62.409999999999997 109.309 172.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.62 91.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.466 0.706 . . . . 61.100000000000001 111.741 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 -22.7 32.04 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.741 1.639 . . . . 75.519999999999996 112.348 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -152.33 146.02 25.04 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.931 -1.877 . . . . 70.409999999999997 105.931 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.55 81.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 105.923 -1.88 . . . . 74.510000000000005 105.923 154.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.242 0.708 0 N-CA-C 103.183 -2.895 . . . . 73.430000000000007 103.183 155.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.54 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.11 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 73.43 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 40.12 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HA ' HD22 ' A' ' 44' ' ' LEU . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.43 109.807 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 65.41 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 31.51 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 44' ' ' LEU . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.11 109.156 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.41 111.437 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.42 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 64.11 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.53 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.42 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 24.4 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.12 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.33 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 60.52 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.42 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 60.52 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.22 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 72.31 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.54 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.23 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 71.13 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 54.05 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.51 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 63.12 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.41 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.15 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 55.11 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 18' ' ' GLN . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 55.34 110.856 -173.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.21 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 61.32 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 44.54 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.45 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.42 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.54 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.22 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 63.34 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.13 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.44 110.014 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 74.14 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 54.42 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 64.21 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.34 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.33 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.43 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 61.33 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 64.52 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 53.31 112.128 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 112.326 0.491 . . . . 71.52 112.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.52 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.31 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 42.22 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 54.33 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 60.31 110.263 -175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 62.22 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 73.5 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.14 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 61.23 111.537 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 74.14 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.25 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 73.33 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 73.14 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 54.31 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.32 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 73.11 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 65.22 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 73.22 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 63.13 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.44 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 62.03 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 70.33 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.05 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 70.22 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.53 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.44 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 53.23 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.13 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.52 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.54 110.811 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 72.31 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.12 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.04 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 64.1 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.12 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 63.31 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.13 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.12 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.13 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 64.4 109.659 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 65.3 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 72.53 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.24 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.15 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.43 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.15 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.21 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.22 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.55 113.075 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 120.914 0.387 . . . . 73.43 111.8 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HE2' HD21 ' A' ' 22' ' ' LEU . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 64.34 106.026 173.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.4 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 71.53 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.12 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 44' ' ' LEU . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.52 109.907 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 71.13 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.1 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.41 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.2 111.572 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 64.22 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.22 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 54.24 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.24 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 52.22 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 71.32 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.33 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 60.44 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 55.41 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.43 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 64.21 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.14 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.44 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.53 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.11 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 72.14 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 74.54 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.4 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 61.2 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 18' ' ' GLN . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 71.54 111.33 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 62.43 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 70.33 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.52 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.43 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 54.12 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 62.43 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.32 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 70.54 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 63.21 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.657 ' CD2' HD23 ' A' ' 22' ' ' LEU . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.22 109.819 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 72.52 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 52.44 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.14 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 72.13 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 60.34 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.31 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.11 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.55 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.02 111.447 -179.269 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 110.2 -0.296 . . . . 61.02 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 65.14 104.49 162.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 63.21 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.33 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 55.1 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 55.3 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.23 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' HD21 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.13 111.054 175.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.13 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 61.34 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 60.22 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 71.11 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.23 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.32 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 61.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 70.11 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.51 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 71.11 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.34 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 72.41 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 70.22 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.42 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 72.41 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.51 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 73.33 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 73.23 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.11 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.44 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 60.3 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 ' HG2' ' A' ' 21' ' ' GLU . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.4 110.236 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 63.22 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 14' ' ' PHE . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 71.3 108.275 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.51 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.53 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.34 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 45.03 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 71.31 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.4 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 64.53 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CD2' HD23 ' A' ' 22' ' ' LEU . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.21 110.37 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.53 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 63.11 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 52.43 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.03 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 71.24 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.42 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 73.33 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 73.04 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.54 112.276 174.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 113.704 1.001 . . . . 73.02 113.704 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.45 108.021 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 51.32 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.42 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 64.12 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 64.32 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 74.22 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 74.22 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 64.45 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.22 110.858 163.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.35 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.43 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.23 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 74.32 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.41 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.23 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 72.32 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 73.23 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.44 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.32 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.24 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 71.32 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.02 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.15 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.03 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 70.45 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.35 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.42 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.14 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.14 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 55.14 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 54.53 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 71.13 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 65.05 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.31 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 65.41 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.12 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.31 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 70.41 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 45.44 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 22' ' ' LEU . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.43 110.446 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.33 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.41 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.21 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.14 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.24 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 54.42 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.34 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.24 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.01 111.957 -173.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.45 109.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 46' ' ' LEU . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 63.2 106.248 166.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 60.42 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 44.2 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.41 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 43.2 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.33 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 62.41 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.54 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 62.53 112.258 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.3 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 72.3 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.51 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 73.11 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 64.14 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.13 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 73.54 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 73.42 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 71.54 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 73.34 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 53.24 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.34 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 61.23 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 61.41 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 74.5 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.51 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 72.34 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.2 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.22 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 64.4 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.54 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 62.44 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 62.33 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.51 109.767 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 61.41 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.1 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.34 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 63.5 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 71.34 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.32 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.3 110.459 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.34 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.42 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.04 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 64.22 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 63.02 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.12 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 62.13 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 72.05 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 64.15 112.803 -179.416 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 115.205 1.557 . . . . 74.41 115.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.43 105.563 172.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.44 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.35 112.51 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.43 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.42 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 55.21 112.97 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 52.42 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.02 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 54' ' ' TRP . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.31 112.211 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 73.31 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.44 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 64.33 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.33 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 62.14 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.23 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 63.01 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.01 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.3 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.34 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.41 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 60.52 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 51.23 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 55.21 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 60.51 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.23 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 62.03 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.24 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.32 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.43 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.44 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.1 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 42.4 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 14' ' ' PHE . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 61.4 107.841 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.24 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.2 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 60.52 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 53.04 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.3 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.4 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.51 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.512 ' CG ' HD23 ' A' ' 22' ' ' LEU . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 64.45 110.44 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.44 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 62.33 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 74.34 109.896 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 63.02 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 44.41 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 61.41 110.25 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.31 110.119 177.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 63.45 114.153 173.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 109.619 -0.511 . . . . 73.33 109.619 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.13 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.22 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 72.54 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 44' ' ' LEU . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.45 109.447 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.44 112.997 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 71.51 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.42 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 72.35 113.42 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.34 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 52.01 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 72.11 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.22 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 55.04 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.54 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.31 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 70.13 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.04 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 73.04 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.14 108.676 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 65.21 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.31 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 62.14 108.27 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.44 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.32 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.33 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.01 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.35 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 63.01 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 71.12 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 18' ' ' GLN . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 72.31 110.932 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.14 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 61.03 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 63.12 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.44 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.01 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.04 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.12 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 73.03 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.24 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 62.35 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.42 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.53 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.45 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.32 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 74.14 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 71.35 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 54.22 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.22 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 44.23 113.318 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 121.212 0.53 . . . . 51.34 110.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 22' ' ' LEU . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 64.11 104.33 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 53.13 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.4 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.41 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 72.3 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.24 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.34 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.2 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.43 110.919 173.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 74.4 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 54.0 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.33 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.43 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.2 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 60.44 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 72.13 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.0 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.24 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.23 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 63.21 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 63.0 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.24 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.41 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.01 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 52.53 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.11 110.367 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 62.23 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 43.2 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 74.32 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.44 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 74.32 110.754 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 71.12 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.1 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 52' ' ' LYS . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 61.13 109.991 -169.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.43 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 41' ' ' ALA . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.02 110.359 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 49' ' ' VAL . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.24 110.322 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.21 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 63.32 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.31 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 71.41 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 72.31 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.24 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.2 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 33.44 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 73.23 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.43 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt . . . . . 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.31 112.39 -172.901 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 120.771 0.319 . . . . 74.02 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.44 106.665 169.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.44 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.33 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.3 108.323 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 71.11 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 72.3 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.33 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.32 112.235 175.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.42 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.33 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 55.23 112.557 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.34 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.33 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.02 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.01 109.03 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 62.01 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 63.32 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 74.41 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.02 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 62.23 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.03 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 63.04 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.43 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.3 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 73.13 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.42 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 64.14 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.01 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 62.0 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 18' ' ' GLN . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.43 109.548 -173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.23 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 14' ' ' PHE . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 52.34 110.269 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 64.02 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.42 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.44 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 62.42 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.41 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 70.2 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.24 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 22' ' ' LEU . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 41.41 110.847 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 74.22 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 72.41 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.23 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 71.11 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 62.03 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.41 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 55.51 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.33 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt . . . . . 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.43 113.544 179.5 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 108.989 -0.745 . . . . 40.33 108.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.33 106.23 173.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 72.03 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.33 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 53.42 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 73.22 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 54.23 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.32 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.31 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.23 110.935 170.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 64.53 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 63.35 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.21 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' A' ' 58' ' ' GLU . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.35 113.22 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 73.55 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 53.23 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.12 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 63.31 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 72.24 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.45 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.23 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.31 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.11 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HA ' HE21 ' A' ' 39' ' ' GLN . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.45 110.745 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 48' ' ' GLU . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 73.31 113.809 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 50.22 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.455 HE21 ' HA ' ' A' ' 36' ' ' GLU . 22.1 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.31 108.963 169.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 65.25 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 31.32 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.21 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 72.31 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.11 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.43 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 61.33 109.693 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.12 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 37' ' ' ARG . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.44 111.774 172.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.45 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.45 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 61.11 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.42 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 63.22 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 63.42 109.499 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.14 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.23 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 61.34 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 26' ' ' PHE . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.55 109.06 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 70.21 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.14 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 70.35 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.54 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt . . . . . 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 72.31 113.115 176.007 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 119.697 -0.192 . . . . 70.14 111.308 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.34 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.43 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.22 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.53 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.578 ' HA ' HD22 ' A' ' 44' ' ' LEU . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 74.31 108.379 -174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 72.24 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 54.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 74.33 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 73.53 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 60.33 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 74.21 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.14 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.15 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 64.13 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.34 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 74.41 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.33 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.23 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 71.32 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.42 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 60.53 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.45 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 54.04 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 64.21 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 71.52 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 72.51 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.11 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 73.34 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.45 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 73.54 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.51 111.802 -173.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 64.42 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.54 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 65.15 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.53 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.03 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 70.32 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 63.15 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.35 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 53.22 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.54 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.22 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 52.12 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 72.31 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 53.22 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 72.44 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 71.44 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.02 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.21 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.45 113.309 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.443 0.639 . . . . 50.51 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 50.5 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.31 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.14 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 62.24 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.14 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.03 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 70.21 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.14 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.21 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 71.02 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.2 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.34 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 72.21 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 73.43 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.1 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.33 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.51 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 43.24 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 55' ' ' PHE . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.31 108.941 170.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.4 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 54.5 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 44.11 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.21 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.01 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.11 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 64.12 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.12 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 70.14 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.43 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 64.0 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.13 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 61.2 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.03 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 72.24 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 71.02 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.03 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 73.4 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 54.44 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.02 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.1 111.054 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 63.22 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 65.12 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 72.22 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.1 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.12 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.4 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 72.11 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.11 113.819 176.301 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 113.112 0.782 . . . . 64.51 113.112 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 53.24 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 63.13 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.51 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.35 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.24 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 55.03 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 70.11 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 55.33 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.55 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 73.31 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 72.34 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 73.35 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.33 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 61.35 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 24.13 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.55 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.44 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.04 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 60.54 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.42 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.24 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.13 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.14 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 64.45 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 74.11 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 60.14 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 53.01 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 63.55 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 72.35 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 61.31 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 73.35 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.44 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 51.14 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.34 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 62.41 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.41 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.23 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 53.11 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.04 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.41 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.43 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.52 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.04 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 71.43 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.33 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.22 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 55.23 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.45 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.24 112.394 178.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 51.13 107.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 65.04 104.402 168.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.44 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.14 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.41 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 64.5 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.3 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.51 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.43 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' CD2' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 74.14 112.155 171.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 73.54 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 64.0 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.32 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.44 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 44.4 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.11 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 34.04 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.31 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 64.41 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.11 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 60.14 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.45 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.44 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.01 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.42 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.22 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 71.43 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 60.0 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.42 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.14 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 63.34 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.52 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 61.1 110.562 -170.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.44 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 61.24 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 71.4 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.32 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 63.0 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.23 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 74.34 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.632 ' CD2' HD23 ' A' ' 22' ' ' LEU . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.4 109.947 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 74.12 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.34 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.32 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.22 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.11 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.3 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.13 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.4 113.567 171.197 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.375 0 N-CA-C 109.77 -0.455 . . . . 54.44 109.77 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 62.41 105.879 164.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 44.44 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 70.12 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.33 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 44' ' ' LEU . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 65.35 109.135 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.33 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.13 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HG3' HD21 ' A' ' 44' ' ' LEU . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.43 109.528 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.01 112.776 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.05 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 62.35 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 72.43 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 62.04 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 70.03 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.43 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.24 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 72.34 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.35 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 71.21 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 74.12 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 71.45 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.44 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.44 109.415 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.31 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 71.13 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.45 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 63.45 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.03 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.03 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.24 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 18' ' ' GLN . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.44 111.519 -175.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 52.53 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.04 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 62.11 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.21 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 72.32 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 72.01 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.22 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD2' HD23 ' A' ' 22' ' ' LEU . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 73.04 110.246 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.34 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.32 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.41 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.44 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.03 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.43 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.31 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.3 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.02 113.561 172.573 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 114.216 1.191 . . . . 64.02 114.216 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.43 104.761 173.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.44 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 71.4 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 71.2 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 73.12 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.44 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 73.22 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 71.24 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.44 112.605 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 61.3 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.31 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.11 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 65.44 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.43 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.22 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 71.01 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.42 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 44.23 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.14 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 73.43 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.22 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.01 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.42 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 65.42 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.23 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 70.23 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 63.34 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 71.12 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.31 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.01 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 73.44 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.23 110.316 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.04 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.11 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.54 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 71.34 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 61.44 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 71.32 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.43 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 64.21 109.434 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 71.13 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 70.22 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 64.12 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.34 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.22 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 71.11 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 72.32 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 70.11 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt . . . . . 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 72.44 112.121 179.476 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.444 -0.576 . . . . 63.5 109.444 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 22' ' ' LEU . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.32 104.833 160.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 61.44 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.12 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.31 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.44 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.44 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.45 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.23 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.24 111.159 175.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 72.14 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 73.44 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.31 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 71.45 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 72.32 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 64.51 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 53.01 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.15 112.193 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.45 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 72.33 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.32 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.23 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.34 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.23 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 60.13 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.33 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.32 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.15 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.31 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 72.33 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 60.45 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 64.13 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 71.35 110.323 -174.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.43 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.22 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.05 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.44 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.24 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 72.13 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 55.32 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.699 ' CD2' HD23 ' A' ' 22' ' ' LEU . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 73.14 110.137 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 73.35 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.52 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.14 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 74.14 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.21 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.41 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 72.31 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 62.31 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.55 113.597 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 114.622 1.341 . . . . 51.44 114.622 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.43 107.021 175.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.32 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.34 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 74.32 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.689 ' HA ' HD13 ' A' ' 44' ' ' LEU . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 73.31 110.099 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 61.13 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 62.34 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 44' ' ' LEU . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.53 109.546 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 54' ' ' TRP . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.31 111.041 174.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.53 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 74.51 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.35 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.35 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 62.35 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.41 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.32 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.41 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 72.34 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 71.41 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.42 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.01 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.34 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 64.52 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.35 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 74.53 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.22 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.35 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 63.54 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 63.54 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.41 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 18' ' ' GLN . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.2 110.972 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.53 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 61.44 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 55.1 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.04 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.43 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.4 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.43 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 64.34 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.31 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.44 109.684 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 54.34 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 71.35 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.04 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.23 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.54 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 53.31 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.11 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.35 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.44 112.89 176.402 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.373 0 CA-C-O 120.459 0.171 . . . . 53.51 111.435 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 62.35 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 63.12 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.32 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.43 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HA ' HD22 ' A' ' 44' ' ' LEU . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 62.22 108.598 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 74.34 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.14 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.34 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.41 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.32 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 74.31 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.03 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 55.2 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 63.0 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.1 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.34 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.2 113.798 167.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.11 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.2 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 60.31 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.24 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 62.04 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.1 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.11 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 63.21 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.31 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 53.31 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 71.43 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.41 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 18' ' ' GLN . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 71.45 110.836 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.11 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 61.11 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.33 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' HE2' ' A' ' 52' ' ' LYS . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 73.23 109.581 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.15 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 64.12 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HE2' HG13 ' A' ' 49' ' ' VAL . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 71.04 109.998 -177.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 73.12 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD2' HD23 ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.34 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.04 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.43 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.11 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.42 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 63.33 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.54 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.12 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.14 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt . . . . . 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 73.43 113.394 170.182 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 111.51 -0.636 . . . . 74.21 111.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.83 71.84 1.43 Allowed Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 125.661 1.584 . . . . 55.45 110.654 -168.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -78.31 94.69 1.07 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.585 2.857 . . . . 72.12 109.332 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 -74.96 0.02 OUTLIER Glycine 0 CA--C 1.522 0.507 0 N-CA-C 108.945 -1.662 . . . . 53.03 108.945 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.31 -173.36 34.17 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 124.844 1.211 . . . . 63.25 110.465 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.7 38.03 29.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.027 0.931 . . . . 73.25 111.377 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.5 m -121.42 169.79 10.28 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.055 1.342 . . . . 63.13 111.178 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -77.83 73.31 4.39 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.801 -1.187 . . . . 74.12 110.059 169.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.24 88.85 4.29 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.528 -1.357 . . . . 73.23 109.922 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 ptt-85 47.21 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.046 2.138 . . . . 64.11 113.922 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -137.81 167.26 22.09 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.811 1.645 . . . . 65.53 106.927 165.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.75 166.94 22.4 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.605 -0.887 . . . . 61.11 108.605 160.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.27 84.87 2.44 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.772 -0.825 . . . . 74.41 108.772 169.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -122.23 129.66 52.45 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 103.608 -2.738 . . . . 73.54 103.608 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.8 p -78.08 170.86 15.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 118.834 0.743 . . . . 75.11 110.022 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.8 m -57.37 -24.92 58.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.342 0.868 . . . . 73.43 113.342 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.1 -50.59 61.07 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 119.862 1.21 . . . . 40.12 108.903 174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HA ' HD22 ' A' ' 44' ' ' LEU . 30.8 mt-30 -66.17 -28.78 69.03 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.89 1.276 . . . . 65.43 109.807 -177.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -77.59 -19.45 55.56 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.588 -0.72 . . . . 65.41 111.889 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -57.01 4.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.638 1.108 . . . . 31.51 108.97 -167.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 44' ' ' LEU . 63.6 mm-40 -60.27 -44.64 95.15 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.738 1.615 . . . . 72.11 109.156 -176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.662 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -56.2 -46.57 79.38 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 125.221 1.408 . . . . 72.41 111.437 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -78.43 -31.37 48.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 108.186 -1.042 . . . . 75.42 108.186 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -65.01 -50.29 66.87 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.672 -0.862 . . . . 64.11 108.672 173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.99 -37.78 72.13 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.869 0.868 . . . . 74.53 110.899 -177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.65 -34.74 67.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.74 1.216 . . . . 65.42 112.394 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -82.32 -16.4 49.42 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.924 0.329 . . . . 24.4 111.549 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 m -87.84 -76.35 0.38 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.506 0.722 . . . . 72.12 110.201 172.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.19 126.81 52.68 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.565 0.698 . . . . 64.33 109.845 -164.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -25.89 67.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.813 -0.613 . . . . 60.52 111.354 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.75 139.97 36.62 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.065 1.746 . . . . 74.42 107.258 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.34 148.62 24.18 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.627 -1.249 . . . . 60.52 107.627 164.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -74.39 179.96 4.3 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 120.329 1.422 . . . . 73.22 110.605 162.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.41 -56.69 17.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.253 1.021 . . . . 72.31 110.544 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -60.43 -38.02 82.78 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-O 118.922 -0.561 . . . . 71.54 111.348 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.58 -49.62 75.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.015 0.926 . . . . 71.23 110.212 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -53.89 -38.68 65.04 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.353 0.978 . . . . 71.13 111.515 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -27.56 67.08 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.494 0.588 . . . . 54.05 111.452 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.89 -59.67 3.62 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 120.078 1.308 . . . . 74.51 107.994 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.17 -12.84 14.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 C-N-CA 124.424 1.09 . . . . 63.12 110.934 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.03 -59.25 2.47 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.174 1.389 . . . . 73.41 108.914 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -43.34 91.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.712 -0.477 . . . . 75.15 109.712 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.73 -20.9 37.9 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.487 1.115 . . . . 55.11 112.793 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 18' ' ' GLN . 83.1 mt -122.88 11.7 9.68 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.055 1.342 . . . . 55.34 110.856 -173.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt 63.85 6.22 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.334 1.454 . . . . 73.21 113.784 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.16 166.66 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.122 1.369 . . . . 61.32 109.937 -172.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.2 m -84.15 155.04 22.77 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 123.801 0.84 . . . . 44.54 110.954 173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.46 -26.0 60.56 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.142 0.977 . . . . 74.45 112.182 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.6 t -78.88 -46.86 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.462 1.505 . . . . 75.42 110.91 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -49.45 -47.2 48.41 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.427 1.467 . . . . 74.54 110.919 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.81 -44.96 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 118.538 -0.744 . . . . 72.22 110.535 -178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -56.2 -41.87 76.28 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 119.769 1.168 . . . . 63.34 110.689 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 51.4 mt -66.99 -38.21 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-O 118.918 -0.563 . . . . 71.13 109.749 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.8 t90 -68.24 -51.26 47.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.868 0.758 . . . . 73.44 110.014 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -55.65 -42.09 74.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 118.339 0.518 . . . . 74.14 111.046 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -66.84 -35.66 80.57 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.032 -1.042 . . . . 54.42 112.64 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.19 -25.31 59.62 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.181 0.993 . . . . 64.21 109.451 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -81.47 -40.45 23.27 Favored 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 121.499 -0.751 . . . . 73.34 110.686 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -38.83 65.57 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 117.974 0.352 . . . . 74.33 110.881 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.7 36.37 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 122.864 0.466 . . . . 75.43 111.663 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -61.11 -42.26 98.21 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.352 -0.981 . . . . 61.33 108.352 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -74.04 -42.42 60.29 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 118.754 0.706 . . . . 64.52 110.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -36.47 67.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.752 1.16 . . . . 53.31 112.128 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -64.56 -21.89 66.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.123 0.874 . . . . 62.44 112.311 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.9 mt -71.33 -22.91 22.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 125.164 1.385 . . . . 75.11 110.967 177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -69.58 87.34 0.48 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.227 1.376 . . . . 74.35 108.891 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.99 -57.88 9.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 128.114 2.565 . . . . 75.14 111.686 -174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.96 72.74 1.56 Allowed Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 108.877 -1.689 . . . . 53.43 108.877 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -145.23 16.55 1.52 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 126.076 1.75 . . . . 60.23 109.686 169.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -63.76 -14.73 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.296 1.438 . . . . 72.13 110.899 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.065 0 C-N-CA 126.793 2.037 . . . . 74.55 111.596 -164.17 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.875 0 N-CA-C 108.672 -1.771 . . . . 50.33 108.672 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.55 146.7 36.57 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 107.696 -1.224 . . . . 70.4 107.696 159.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -63.71 139.5 69.53 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.792 1.661 . . . . 71.21 113.574 -166.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -169.87 22.77 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 127.422 2.439 . . . . 75.32 107.719 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.54 -9.28 0.08 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 115.884 1.114 . . . . 40.54 115.884 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.97 160.41 40.05 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 120.119 1.959 . . . . 62.23 109.57 172.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -134.42 126.7 30.05 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 107.406 -1.331 . . . . 63.01 107.406 -169.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -64.14 162.94 13.44 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.331 0.652 . . . . 74.24 110.249 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 15.17 1.35 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.469 0.914 . . . . 73.43 113.469 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -94.72 167.02 11.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.275 0.943 . . . . 74.14 108.986 169.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -61.25 158.96 13.05 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.041 1.336 . . . . 64.12 109.741 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.12 162.7 24.03 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.523 1.129 . . . . 72.3 110.441 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.07 94.68 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.151 1.78 . . . . 71.52 112.326 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -116.44 140.38 49.42 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.365 1.866 . . . . 71.52 108.159 177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -85.02 176.05 8.66 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.007 0.923 . . . . 74.31 111.526 169.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.8 p -64.9 -33.69 76.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 113.26 0.837 . . . . 42.22 113.26 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.37 -48.6 81.02 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.487 1.515 . . . . 54.33 109.343 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.3 mt-30 -70.15 -21.32 63.09 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 123.141 0.577 . . . . 60.31 110.263 -175.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -81.71 -19.35 41.69 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 118.015 -0.993 . . . . 62.22 111.975 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -58.32 5.14 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 120.008 1.276 . . . . 73.5 109.498 -168.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -61.51 -41.44 97.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.78 1.632 . . . . 74.14 108.927 -174.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 6.9 mp -61.74 -46.85 87.83 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.046 1.338 . . . . 61.23 111.537 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -78.38 -26.94 46.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.442 -0.947 . . . . 74.14 108.442 -170.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -62.62 -59.68 4.58 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 118.455 0.571 . . . . 63.25 109.781 166.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -16.11 63.52 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.265 0.839 . . . . 73.33 113.265 -167.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -67.27 -23.59 65.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.417 0.553 . . . . 73.14 111.166 172.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -99.02 -43.32 6.73 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.978 1.311 . . . . 54.31 110.739 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.85 -26.25 63.18 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.313 0.857 . . . . 70.32 113.313 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.76 -176.88 4.64 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.391 1.476 . . . . 73.11 107.422 -172.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -35.41 2.58 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.91 0.707 . . . . 65.22 112.91 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -160.96 164.26 31.2 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.325 1.05 . . . . 73.22 108.472 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -102.89 141.69 35.28 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 123.923 0.889 . . . . 63.13 109.496 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -72.09 -176.79 1.86 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.177 0.591 . . . . 65.44 110.19 160.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -53.93 -61.29 2.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.208 1.403 . . . . 62.03 108.229 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 m -59.8 -38.36 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 126.399 1.88 . . . . 70.33 111.353 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.33 -46.87 81.61 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.24 0.616 . . . . 73.05 110.009 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -58.43 -32.71 68.93 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 117.756 -1.116 . . . . 70.22 111.189 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -52.29 66.24 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.856 0.753 . . . . 52.53 109.224 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -56.27 -59.4 4.99 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.085 0.954 . . . . 64.5 110.587 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.9 mm -76.4 -2.45 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 123.808 0.843 . . . . 73.44 111.173 -166.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.85 -53.94 4.18 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 124.609 1.164 . . . . 53.23 108.507 166.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -58.2 -44.53 88.16 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.182 0.593 . . . . 75.13 111.411 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.18 -11.11 12.77 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.704 1.202 . . . . 71.52 112.49 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.2 mt -127.87 11.39 6.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.189 1.796 . . . . 74.54 110.811 -177.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 tttt 54.07 9.44 0.22 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.251 2.22 . . . . 72.31 115.695 -171.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.5 mt -78.53 175.67 10.13 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 125.301 1.44 . . . . 72.12 109.907 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.01 155.56 16.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.234 1.014 . . . . 60.04 108.7 165.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -48.22 -46.59 35.44 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.664 1.186 . . . . 64.1 111.616 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 83.4 t -59.87 -41.98 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.71 0.804 . . . . 60.12 109.617 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.88 -42.11 95.08 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.911 0.778 . . . . 63.31 109.745 -174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -56.93 -53.0 48.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 N-CA-C 108.103 -1.073 . . . . 75.13 108.103 172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -51.05 -45.55 61.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 118.235 -0.888 . . . . 75.12 111.302 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.81 -38.02 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 119.295 0.952 . . . . 74.13 110.335 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 5.1 t90 -66.25 -52.23 49.66 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 120.049 1.295 . . . . 64.4 109.659 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -50.51 -54.77 19.82 Favored 'General case' 0 C--N 1.34 0.163 0 C-N-CA 123.818 0.847 . . . . 65.3 109.94 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -58.47 -36.8 74.29 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 113.559 0.948 . . . . 72.53 113.559 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.72 -41.87 74.75 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.198 -1.038 . . . . 74.24 108.198 -174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.98 -35.5 66.89 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 108.249 -1.019 . . . . 75.15 108.249 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -4.01 5.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.63 1.572 . . . . 73.43 114.754 173.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.29 -43.45 5.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.953 1.251 . . . . 74.15 110.333 165.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -57.54 -54.2 49.55 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 123.886 0.874 . . . . 75.21 111.023 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -66.8 -27.2 67.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.898 -0.501 . . . . 74.22 111.526 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -18.82 63.74 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.734 -1.229 . . . . 65.55 113.075 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -80.93 -28.71 35.67 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 120.561 1.528 . . . . 75.44 113.145 164.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -74.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.646 -1.613 . . . . 74.41 106.646 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt 44.91 12.7 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.392 2.277 . . . . 74.54 115.71 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.36 29.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 119.473 1.033 . . . . 74.51 109.089 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.99 58.52 4.36 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.095 -0.802 . . . . 64.44 111.095 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -123.47 37.24 4.46 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.695 1.198 . . . . 72.35 107.921 161.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.328 9.2 p 45.13 38.05 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 C-N-CA 127.85 2.46 . . . . 64.44 112.457 -171.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.247 0.957 0 C-N-CA 126.635 1.974 . . . . 72.45 107.694 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 108.365 -1.894 . . . . 54.22 108.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.78 66.83 13.51 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 117.842 0.821 . . . . 71.31 109.743 169.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.28 -13.01 18.98 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.754 2.303 . . . . 64.33 112.468 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 85.55 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 107.354 -2.299 . . . . 60.25 107.354 -170.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.1 93.65 0.34 Allowed Glycine 0 C--N 1.333 0.374 0 N-CA-C 108.862 -1.695 . . . . 74.24 108.862 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.3 mttp -110.23 64.24 0.61 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.182 0.993 . . . . 73.34 108.458 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 p -135.12 71.16 1.43 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 124.655 1.182 . . . . 72.54 109.553 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -84.43 100.52 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 126.0 1.72 . . . . 74.43 107.395 172.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -96.69 143.32 27.75 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 107.316 -1.364 . . . . 74.43 107.316 164.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 44.57 66.39 0.88 Allowed 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 127.249 2.22 . . . . 72.23 110.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -64.86 99.89 0.37 Allowed 'General case' 0 N--CA 1.46 0.049 0 C-N-CA 124.084 0.954 . . . . 71.31 109.68 -172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -98.43 26.45 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.447 1.099 . . . . 52.03 111.299 170.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 66.04 34.23 7.09 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.296 -0.878 . . . . 73.43 111.8 164.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HE2' HD21 ' A' ' 22' ' ' LEU . 3.2 m-85 -74.27 127.0 31.86 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.026 -1.842 . . . . 64.34 106.026 173.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.0 p -71.14 176.16 4.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.884 1.326 . . . . 75.4 109.746 170.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 p -58.94 -44.56 91.41 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-O 117.298 -1.334 . . . . 71.53 113.728 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -55.26 -50.81 68.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.541 1.162 . . . . 72.12 108.929 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HA ' HD22 ' A' ' 44' ' ' LEU . 53.1 mt-30 -66.17 -32.23 73.55 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.652 -1.158 . . . . 75.52 109.907 -176.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -73.72 -23.32 59.76 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 118.203 -0.903 . . . . 71.13 112.068 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.11 -56.1 4.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 119.965 1.257 . . . . 75.1 108.264 -170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.38 -37.96 85.28 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.963 0.905 . . . . 74.41 109.96 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.657 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.5 mp -58.39 -46.23 86.79 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 125.013 1.325 . . . . 72.2 111.572 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -74.84 -35.83 62.39 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.666 -0.865 . . . . 64.22 108.666 -176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -58.03 -48.14 80.98 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.782 0.676 . . . . 61.5 109.626 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -65.35 -36.57 84.41 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.095 0.958 . . . . 75.22 111.5 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.66 -18.59 64.12 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.496 0.718 . . . . 54.24 112.437 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -92.92 0.17 57.35 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.38 0.991 . . . . 75.24 112.89 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.4 p -130.18 -18.98 3.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 116.891 -1.528 . . . . 52.22 114.786 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -132.92 146.85 52.16 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 121.186 1.812 . . . . 74.5 111.563 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.34 -28.89 24.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.153 1.781 . . . . 71.32 111.939 172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -149.54 142.63 24.95 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.621 -1.251 . . . . 73.33 107.621 176.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.49 152.49 30.2 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.105 -1.442 . . . . 60.44 107.105 161.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.4 m -101.69 178.76 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 125.022 1.329 . . . . 55.41 109.199 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.96 -40.28 78.98 Favored 'General case' 0 C--O 1.232 0.174 0 O-C-N 121.476 -0.765 . . . . 64.43 111.07 -161.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -62.6 -53.58 52.48 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.827 -0.805 . . . . 64.21 108.827 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -54.65 -50.56 67.89 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 124.167 0.987 . . . . 73.14 110.757 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -66.56 -31.22 71.79 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.37 -0.831 . . . . 63.44 111.194 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -60.7 -49.69 76.51 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 108.46 -0.941 . . . . 73.53 108.46 171.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -58.21 -51.5 69.5 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.518 0.727 . . . . 75.11 109.571 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.27 -8.3 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 123.57 0.748 . . . . 72.14 112.076 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.1 -57.68 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 120.767 -1.208 . . . . 74.54 110.141 173.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.11 -43.15 95.82 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.677 0.791 . . . . 74.4 111.128 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.88 -21.7 66.58 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 112.613 0.597 . . . . 61.2 112.613 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 18' ' ' GLN . 57.8 mt -103.1 2.82 35.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.08 0.952 . . . . 71.54 111.33 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.32 7.16 4.05 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.395 1.878 . . . . 62.43 113.112 -177.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.2 mt -84.4 165.78 17.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.112 1.365 . . . . 70.33 110.549 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.7 m -82.93 152.91 25.31 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.276 -1.009 . . . . 73.52 108.276 166.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -45.09 -48.32 11.97 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.698 1.599 . . . . 75.43 111.498 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.66 -44.32 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 125.962 1.705 . . . . 54.12 111.106 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -58.33 -43.62 88.33 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 119.525 1.057 . . . . 62.43 109.565 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.21 -50.39 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 125.739 1.615 . . . . 75.32 109.429 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -57.59 -33.49 68.25 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.817 -0.552 . . . . 70.54 110.539 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -73.8 -39.92 52.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 123.819 0.848 . . . . 63.21 110.517 176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.657 ' CD2' HD23 ' A' ' 22' ' ' LEU . 42.6 t90 -60.9 -55.49 32.32 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 120.363 1.438 . . . . 75.22 109.819 177.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -58.51 -36.53 73.96 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.857 -0.592 . . . . 72.52 111.905 -175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -70.88 -40.95 71.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 119.288 0.949 . . . . 52.44 111.904 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -64.61 -36.66 84.96 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 75.14 109.148 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.59 -46.32 22.54 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 72.13 109.578 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -58.44 -37.79 76.14 Favored 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.448 -0.782 . . . . 60.34 111.144 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.74 -52.14 41.04 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.318 1.012 . . . . 62.31 109.954 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -29.37 69.26 Favored 'General case' 0 C--N 1.343 0.29 0 CA-C-O 118.88 -0.581 . . . . 75.11 111.416 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -82.66 -37.63 24.58 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.737 -0.649 . . . . 73.55 111.995 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -57.94 -35.78 71.59 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.205 1.821 . . . . 73.02 111.447 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -63.91 -11.91 32.28 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.716 1.006 . . . . 74.15 113.716 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.0 mt -83.14 -16.35 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.772 1.229 . . . . 74.03 110.867 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -71.61 78.09 0.81 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 107.423 -1.325 . . . . 73.44 107.423 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.66 32.1 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 125.485 1.514 . . . . 62.45 108.815 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.45 12.91 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 CA-C-O 117.073 -1.959 . . . . 72.45 115.019 170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -152.26 21.9 0.65 Allowed 'General case' 0 C--N 1.34 0.189 0 CA-C-N 121.651 2.725 . . . . 63.02 112.082 -166.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.57 -12.91 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 126.462 1.905 . . . . 60.34 113.271 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.057 0 CA-C-O 117.277 -1.344 . . . . 75.01 109.536 175.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.293 0 N-CA-C 110.554 -1.018 . . . . 63.31 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.55 144.38 0.1 Allowed Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 128.607 2.763 . . . . 74.0 110.415 -161.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.73 176.08 10.46 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.542 2.161 . . . . 73.41 111.035 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.28 32.14 0.09 OUTLIER Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.58 1.086 . . . . 34.24 111.161 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.7 -163.38 27.05 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 127.007 2.241 . . . . 72.53 111.181 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 47.59 29.81 1.55 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 126.763 2.025 . . . . 70.22 113.587 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 p -152.81 170.76 19.51 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 125.486 1.515 . . . . 70.21 110.477 -173.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -114.7 172.33 7.1 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.471 1.508 . . . . 73.34 107.181 161.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -120.16 96.12 5.03 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.503 -0.748 . . . . 74.13 109.589 -173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 44.68 72.84 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 127.778 2.431 . . . . 75.14 111.512 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.24 74.82 1.61 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 122.484 0.314 . . . . 65.43 110.229 -172.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 172.18 13.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 108.961 -0.755 . . . . 71.22 108.961 168.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.33 76.92 3.87 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.118 0.967 . . . . 61.02 110.2 175.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 4.9 m-85 -123.79 123.91 41.52 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 104.49 -2.411 . . . . 65.14 104.49 162.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -72.64 166.36 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.11 0.868 . . . . 63.21 109.109 174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 m -58.7 -29.57 66.75 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 120.933 -1.104 . . . . 74.33 113.398 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.92 -54.33 48.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 126.431 1.892 . . . . 55.1 110.389 172.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -68.85 -27.62 65.98 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 124.067 0.947 . . . . 55.3 109.406 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.99 -11.37 60.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.186 0.594 . . . . 75.23 112.369 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.01 -54.81 4.77 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.655 -1.239 . . . . 74.21 107.655 -171.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HG2' HD21 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -68.13 -37.24 80.87 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 126.809 2.044 . . . . 72.0 108.462 -169.811 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.2 mp -56.37 -30.63 62.93 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.168 1.787 . . . . 75.13 111.054 175.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -87.8 -7.87 56.7 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 118.173 -0.918 . . . . 75.13 110.044 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.87 -62.29 1.55 Allowed 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 106.978 -1.49 . . . . 61.34 106.978 167.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -57.65 -25.65 60.5 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.332 0.653 . . . . 60.22 111.612 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -52.44 -36.08 53.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 113.574 0.953 . . . . 71.11 113.574 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -95.99 4.42 52.68 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.28 0.844 . . . . 75.23 113.28 -169.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.6 p -134.39 -50.62 0.8 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.169 0.987 . . . . 64.32 113.237 -174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HE2' ' CD2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -58.55 142.97 47.54 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.3 1.04 . . . . 61.0 109.411 176.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -94.26 -38.67 10.92 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 117.64 -1.171 . . . . 70.11 111.209 161.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -151.44 142.85 23.46 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.986 1.314 . . . . 74.51 108.718 177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.36 117.5 19.65 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 106.787 -1.56 . . . . 71.11 106.787 170.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -72.17 177.9 4.17 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.444 1.09 . . . . 74.34 110.033 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.75 -40.05 82.73 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.31 1.044 . . . . 72.41 110.812 -169.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.9 m -67.89 -57.21 6.62 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.504 1.522 . . . . 70.22 110.766 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -47.06 -49.32 21.71 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.168 1.387 . . . . 73.42 110.163 -177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.01 -21.68 63.82 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.095 0.958 . . . . 72.41 113.254 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.91 -41.1 10.78 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 124.476 1.11 . . . . 71.51 110.496 173.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.69 -54.15 50.36 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 119.264 0.938 . . . . 73.33 111.031 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 mm -67.04 -13.01 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.876 0.871 . . . . 73.23 111.623 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.29 -56.03 3.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.171 -0.955 . . . . 73.11 109.012 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -59.11 -43.13 91.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.001 1.32 . . . . 74.44 111.304 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.36 -35.99 63.37 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 123.562 0.745 . . . . 60.3 110.79 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 HD21 ' HG2' ' A' ' 21' ' ' GLU . 24.2 mt -107.13 6.49 28.87 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.071 1.348 . . . . 75.4 110.236 -171.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.3 mttt 55.57 17.96 2.53 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 127.014 2.125 . . . . 63.22 114.207 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD13 ' CE2' ' A' ' 14' ' ' PHE . 15.6 mt -88.87 163.76 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.445 1.098 . . . . 71.3 108.275 176.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.0 157.78 29.52 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.575 -0.703 . . . . 71.51 109.916 171.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -52.71 -40.81 63.35 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.704 0.802 . . . . 64.53 111.14 173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.59 -45.18 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 C-N-CA 124.657 1.183 . . . . 74.34 109.06 -177.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -58.66 -49.12 78.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.135 -0.46 . . . . 45.03 109.763 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.39 -43.14 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 119.115 -0.469 . . . . 71.31 110.159 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -57.2 -44.52 83.7 Favored 'General case' 0 C--N 1.342 0.278 0 CA-C-N 119.451 1.023 . . . . 72.4 109.49 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.62 -41.27 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 124.835 1.254 . . . . 64.53 110.212 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CD2' HD23 ' A' ' 22' ' ' LEU . 18.1 t90 -63.97 -51.07 66.03 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.824 1.193 . . . . 74.21 110.37 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD2' ' HE2' ' A' ' 29' ' ' LYS . 12.2 m-85 -59.52 -36.71 76.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 118.488 -0.767 . . . . 72.53 112.152 -176.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.68 -47.43 69.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.634 1.106 . . . . 63.11 110.746 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.83 -34.88 78.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.294 1.038 . . . . 52.43 109.346 -171.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -80.71 -44.73 18.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.104 -0.95 . . . . 75.03 110.322 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -57.98 -39.44 78.2 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 119.531 1.06 . . . . 71.24 109.232 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.74 -51.65 61.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.94 1.696 . . . . 61.42 111.188 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -63.27 -43.51 97.75 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 119.258 -0.977 . . . . 73.33 109.686 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -63.72 -38.0 89.47 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 119.355 0.979 . . . . 73.04 109.557 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.93 -38.11 69.86 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 117.026 -1.464 . . . . 73.54 112.276 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.5 ptt85 -63.49 -22.45 66.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 121.056 1.753 . . . . 64.12 112.701 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.89 -10.52 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 C-N-CA 125.34 1.456 . . . . 72.13 111.227 176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -68.42 70.34 0.17 Allowed 'General case' 0 C--O 1.22 -0.5 0 O-C-N 120.332 -1.48 . . . . 73.44 108.62 167.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.94 -23.1 66.54 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.298 -0.876 . . . . 61.33 112.817 -172.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 53.79 4.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.168 -1.173 . . . . 63.21 110.168 170.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.75 10.13 3.37 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.904 1.352 . . . . 73.31 112.634 171.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.5 m 44.45 55.38 0.34 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 127.651 2.38 . . . . 53.41 111.124 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.4 p . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.606 -1.664 . . . . 70.33 111.073 -166.637 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.587 0 N-CA-C 108.994 -1.642 . . . . 73.21 108.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.6 80.85 0.41 Allowed Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 107.098 -1.445 . . . . 71.25 107.098 164.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.67 164.93 29.63 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.552 2.835 . . . . 64.02 110.758 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.66 156.81 27.63 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 108.04 -2.024 . . . . 54.54 108.04 167.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.88 147.2 12.5 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 110.307 -1.117 . . . . 74.34 110.307 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -133.48 77.18 1.71 Allowed 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 125.413 1.485 . . . . 73.05 107.876 -167.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 154.35 21.17 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.303 -0.999 . . . . 72.33 108.303 165.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -147.19 -164.34 1.97 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.739 1.616 . . . . 60.02 109.041 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 61.88 16.69 8.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.498 1.519 . . . . 75.44 114.07 169.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -157.21 42.34 0.33 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.183 0.993 . . . . 71.45 110.226 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.35 153.56 25.61 Favored 'General case' 0 C--N 1.333 -0.123 0 O-C-N 120.53 -1.356 . . . . 72.41 108.699 169.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 161.46 15.22 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.975 -0.38 . . . . 71.32 109.975 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.18 59.9 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.271 1.828 . . . . 73.02 113.704 -170.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 22' ' ' LEU . 2.4 m-85 -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 124.974 1.31 . . . . 75.45 108.021 177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.6 p -77.6 162.7 26.87 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.655 1.182 . . . . 51.32 109.609 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -58.4 -35.26 71.75 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.433 0.901 . . . . 73.42 113.433 -172.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.55 -40.1 94.95 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 118.277 0.49 . . . . 64.12 110.155 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.38 -33.55 69.62 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 123.423 0.689 . . . . 64.32 109.442 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.11 -8.93 49.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.236 0.615 . . . . 74.22 112.448 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -62.91 1.54 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.539 0.735 . . . . 74.22 110.742 -177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -68.65 -26.25 65.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.579 0.704 . . . . 64.45 110.956 -166.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.9 mp -47.79 -56.52 7.22 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 127.355 2.262 . . . . 64.22 110.858 163.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -79.7 -15.0 58.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.581 0.753 . . . . 75.35 109.676 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -67.34 -57.33 6.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 107.877 -1.157 . . . . 73.43 107.877 169.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.67 -38.55 89.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.673 -1.156 . . . . 73.23 110.892 -175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -66.78 -17.23 64.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.026 1.285 . . . . 74.32 113.345 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -97.23 1.7 50.0 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.184 -0.948 . . . . 72.41 112.271 173.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -114.22 -67.4 1.0 Allowed 'General case' 0 C--O 1.237 0.417 0 C-N-CA 124.664 1.186 . . . . 73.23 109.243 175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -101.29 168.12 9.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.016 1.726 . . . . 72.32 110.467 -166.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.67 -16.44 13.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.694 -1.139 . . . . 73.23 113.287 -173.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -158.34 166.91 31.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.996 -0.742 . . . . 65.44 108.996 176.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -117.46 117.21 28.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.667 1.187 . . . . 74.32 107.993 168.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.9 179.97 1.02 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.274 0.63 . . . . 70.24 110.539 161.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.92 -58.15 9.67 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 125.172 1.389 . . . . 71.32 111.903 -170.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 m -60.51 -28.56 68.48 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.079 -0.388 . . . . 71.02 111.848 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.47 -48.8 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.026 -1.046 . . . . 72.15 108.202 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -50.31 -49.16 54.48 Favored 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 124.294 1.038 . . . . 74.03 110.968 167.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -50.6 -52.42 39.44 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.941 0.792 . . . . 70.45 110.495 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.92 -59.87 4.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.962 0.905 . . . . 71.35 110.469 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.9 mm -68.74 -9.27 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.129 0.572 . . . . 71.42 111.653 -171.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.83 -59.77 2.15 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 124.316 1.046 . . . . 74.14 109.376 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -66.99 -33.24 75.14 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 119.299 -0.382 . . . . 70.14 110.833 -170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -17.63 62.58 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.661 1.184 . . . . 55.14 112.371 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.9 mt -118.61 6.42 11.65 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.351 1.46 . . . . 54.53 111.089 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.6 mttp 57.64 6.7 0.46 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.359 1.864 . . . . 71.13 114.195 -173.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.6 165.28 22.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.737 1.215 . . . . 65.05 109.725 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 154.93 24.07 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.617 -0.883 . . . . 65.31 108.617 167.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -58.39 -42.77 87.82 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 122.951 0.5 . . . . 72.25 110.434 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.81 -40.99 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 122.6 0.36 . . . . 65.41 111.011 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.11 -52.27 65.6 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.289 0.636 . . . . 74.12 109.993 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.41 -46.49 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 123.65 0.78 . . . . 64.31 109.861 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -52.11 -39.57 60.04 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.533 1.533 . . . . 70.41 111.03 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 71.4 mt -69.22 -38.94 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.675 0.79 . . . . 45.44 110.375 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.501 ' CD2' HD23 ' A' ' 22' ' ' LEU . 3.4 t90 -61.97 -53.63 52.95 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.027 0.831 . . . . 74.43 110.446 -178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -57.96 -41.59 83.19 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.686 0.794 . . . . 73.33 111.291 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -63.57 -41.06 98.41 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.11 1.323 . . . . 74.41 110.615 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.99 -30.48 71.55 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.695 0.798 . . . . 62.21 109.73 -173.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -88.88 -32.76 17.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 112.513 0.561 . . . . 72.14 112.513 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.02 -5.1 19.76 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.84 -1.162 . . . . 73.24 112.783 175.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.0 -59.87 1.76 Allowed 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 123.304 0.642 . . . . 54.42 112.229 158.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -38.43 88.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 119.676 1.125 . . . . 73.34 111.903 -168.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -54.26 21.56 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.511 -0.922 . . . . 75.24 108.511 173.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -53.03 -40.29 63.81 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 124.084 0.954 . . . . 70.01 111.957 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.263 4.7 ptt180 -59.53 -28.47 67.11 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 113.537 0.94 . . . . 54.45 113.537 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.0 -28.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.693 1.197 . . . . 74.21 111.151 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -54.26 -21.63 9.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.897 0.879 . . . . 65.21 112.595 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 73.77 83.55 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.729 2.411 . . . . 72.33 109.271 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.3 36.71 2.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 123.685 0.66 . . . . 72.42 111.707 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -159.84 47.37 0.27 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.128 2.171 . . . . 74.05 107.186 -167.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.45 1.34 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 C-N-CA 123.561 0.745 . . . . 63.02 109.854 164.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.247 0.96 0 C-N-CA 127.479 2.312 . . . . 74.25 107.737 -178.699 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.647 0 CA-C-O 119.395 -0.669 . . . . 61.25 111.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.07 66.98 4.57 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.932 2.093 . . . . 65.31 112.756 -173.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -71.0 162.0 44.2 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.164 1.909 . . . . 64.15 110.667 170.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.76 100.41 2.58 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 108.026 -2.03 . . . . 75.14 108.026 -176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.2 170.78 20.88 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.615 1.102 . . . . 60.33 111.213 173.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.82 174.63 2.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.54 0.67 . . . . 62.31 111.411 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 m -130.04 16.98 5.64 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.46 1.104 . . . . 74.03 113.471 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.3 ttm105 -134.75 167.7 20.37 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.36 -0.837 . . . . 71.45 109.719 176.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 45.5 28.65 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.009 1.324 . . . . 72.24 110.207 -166.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -76.44 32.28 0.13 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.656 1.182 . . . . 63.13 111.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -146.37 148.41 32.32 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 127.577 2.351 . . . . 73.14 105.153 170.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 m -125.39 159.73 31.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.663 -1.236 . . . . 74.14 107.663 174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.94 95.51 0.16 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.006 -0.739 . . . . 63.45 109.006 170.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 46' ' ' LEU . 7.8 m-85 -122.9 139.92 53.52 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.597 1.959 . . . . 63.2 106.248 166.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.0 p -85.23 163.18 18.82 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.584 -0.895 . . . . 60.42 108.584 171.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -58.56 -30.41 67.12 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.083 -1.01 . . . . 44.2 111.336 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -45.7 69.66 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 129.349 3.059 . . . . 75.41 111.24 176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -86.06 -33.55 20.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 125.579 1.552 . . . . 43.2 108.208 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 mt -69.11 -10.53 58.1 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.329 0.652 . . . . 74.33 112.308 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -57.82 4.07 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.618 1.567 . . . . 62.41 109.654 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -73.07 -42.8 62.66 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 124.601 1.161 . . . . 64.54 109.413 -166.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.3 mp -59.58 -24.21 63.56 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.65 1.18 . . . . 62.53 112.258 177.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -72.47 -39.16 67.94 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 120.687 1.585 . . . . 74.3 108.294 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -73.06 -8.93 57.95 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 117.882 -1.056 . . . . 72.3 110.886 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.367 0.4 OUTLIER -118.57 -6.34 10.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 116.606 2.076 . . . . 73.51 116.606 173.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -48.47 -45.79 37.21 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.773 1.629 . . . . 73.11 110.687 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -110.14 9.43 24.0 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.772 1.629 . . . . 64.14 112.336 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.6 t -66.75 -42.59 85.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.933 0.788 . . . . 74.13 110.654 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -135.55 158.07 45.31 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 109.183 -0.673 . . . . 73.54 109.183 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 10.8 pttm -57.38 -51.29 70.02 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.214 0.946 . . . . 73.42 110.519 167.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CD2' ' HG3' ' A' ' 30' ' ' LYS . 40.0 p90 -155.31 162.91 40.74 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 118.381 0.537 . . . . 71.54 111.274 172.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.4 mp -93.73 160.67 14.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.502 1.521 . . . . 73.34 109.854 174.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.84 -173.55 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.257 1.423 . . . . 53.24 110.204 166.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.44 -39.65 94.04 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.629 0.771 . . . . 74.34 109.079 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -54.17 -55.75 24.81 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.158 0.983 . . . . 61.23 109.483 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -70.89 -41.92 70.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.545 -0.722 . . . . 61.41 110.629 -172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -59.35 -33.69 71.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-O 116.988 -1.482 . . . . 74.5 111.188 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -49.38 77.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.66 1.118 . . . . 64.51 110.494 172.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -60.1 -58.73 7.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.611 0.764 . . . . 72.34 110.174 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.1 mm -74.57 -2.71 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.741 1.616 . . . . 75.2 111.729 -170.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.35 -51.05 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.108 0.963 . . . . 71.22 109.807 170.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -60.34 -46.42 89.97 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.01 0.924 . . . . 64.4 110.2 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.65 67.61 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.021 0.528 . . . . 75.54 111.311 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 69.2 mt -104.09 8.02 36.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.241 1.416 . . . . 62.44 110.725 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 54.61 13.04 0.62 Allowed 'General case' 0 C--O 1.237 0.433 0 C-N-CA 127.931 2.492 . . . . 62.33 116.494 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 14' ' ' PHE . 7.5 mt -79.16 167.06 21.54 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.034 0.933 . . . . 63.51 109.767 175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.7 m -81.55 151.48 27.7 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 108.587 -0.894 . . . . 74.33 108.587 167.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -58.67 -36.69 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.819 -0.55 . . . . 61.41 111.405 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.44 -41.67 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 123.394 0.677 . . . . 75.1 110.418 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.53 -44.77 77.0 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.169 -0.678 . . . . 75.34 109.169 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.33 -34.71 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.192 0.597 . . . . 63.5 111.073 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -68.87 -23.45 64.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 121.328 1.876 . . . . 71.34 111.814 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 62.8 mt -81.23 -31.9 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 117.976 -1.012 . . . . 73.32 110.213 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 22' ' ' LEU . 67.6 t90 -64.17 -56.43 14.81 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 120.366 1.439 . . . . 75.3 110.459 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -53.52 -50.72 64.84 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.971 0.908 . . . . 75.34 109.274 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -57.95 -39.36 77.9 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.012 0.745 . . . . 74.42 113.012 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -74.33 -27.67 60.8 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 118.884 -0.579 . . . . 60.04 111.041 -174.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.5 tp10 -80.27 -36.76 34.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.248 0.967 . . . . 64.22 108.443 177.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -54.46 -47.41 72.96 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 120.363 1.438 . . . . 63.02 110.939 178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.02 -5.53 51.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 124.563 1.145 . . . . 74.12 113.426 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.78 7.41 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 119.758 1.163 . . . . 62.13 110.331 167.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -61.18 -39.31 89.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 118.541 -0.742 . . . . 72.05 109.793 173.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -56.27 -21.86 26.38 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.944 1.247 . . . . 64.15 112.803 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -77.95 -10.98 59.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 120.279 1.4 . . . . 64.42 113.527 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.4 mt -84.23 -19.68 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.671 1.588 . . . . 42.14 110.949 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.27 82.06 0.74 Allowed 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.95 -0.759 . . . . 72.44 108.95 -175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.42 81.5 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 125.623 1.569 . . . . 60.24 109.278 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.64 -26.49 9.48 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 126.654 2.073 . . . . 64.32 111.448 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.93 19.69 2.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 128.786 2.834 . . . . 64.34 113.314 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -74.0 3.97 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.129 0.571 . . . . 74.14 111.06 166.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 C--O 1.245 0.865 0 C-N-CA 125.261 1.424 . . . . 71.42 109.402 -153.38 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 109.779 -1.328 . . . . 52.24 109.779 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.06 68.41 75.99 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 118.285 1.042 . . . . 54.32 110.317 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 155.15 44.44 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.012 2.474 . . . . 71.13 112.435 -172.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 -101.25 0.7 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 107.72 -2.152 . . . . 74.05 107.72 168.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.85 98.04 0.13 Allowed Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 109.865 -1.294 . . . . 72.32 109.865 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -66.4 -18.84 65.59 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.159 0.98 . . . . 75.14 111.679 166.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -163.21 102.2 0.97 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.049 1.339 . . . . 75.05 107.545 161.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 43.08 79.21 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.91 1.684 . . . . 74.14 113.279 154.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -114.98 -5.03 12.51 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.205 1.557 . . . . 73.13 115.205 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -142.3 87.57 2.03 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 107.773 -1.195 . . . . 60.12 107.773 -172.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.7 ttt-85 -90.94 3.64 54.08 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.888 1.44 . . . . 63.34 114.888 -166.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.61 -175.51 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 125.497 1.519 . . . . 74.01 108.62 175.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.77 34.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 128.171 2.588 . . . . 74.41 115.205 -175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.5 m-85 -92.41 137.24 32.53 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.563 -2.014 . . . . 75.43 105.563 172.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -93.89 168.39 11.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 125.938 1.695 . . . . 73.44 108.987 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 25.0 t -68.86 -22.04 64.23 Favored 'General case' 0 C--O 1.226 -0.138 0 O-C-N 120.673 -1.267 . . . . 64.35 112.51 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.59 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 126.025 1.73 . . . . 72.43 108.584 169.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.72 -26.83 50.36 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.99 1.716 . . . . 61.42 109.434 -173.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 30.3 mt -85.66 2.83 43.62 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.391 1.077 . . . . 55.21 112.97 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.49 -66.57 0.82 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.176 -1.416 . . . . 52.42 107.176 167.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -68.8 -38.01 79.65 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.557 1.143 . . . . 61.02 111.386 -165.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD23 ' CG ' ' A' ' 54' ' ' TRP . 2.0 mp -62.29 -23.0 66.47 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.229 0.612 . . . . 75.31 112.211 176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -92.89 -35.32 13.41 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 118.723 0.692 . . . . 73.31 109.584 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.35 -47.48 76.3 Favored 'General case' 0 C--N 1.338 0.078 0 CA-C-N 118.345 0.52 . . . . 74.44 110.649 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.94 -31.14 66.03 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.629 0.65 . . . . 64.33 110.294 -178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -56.71 -43.59 80.72 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.752 -0.592 . . . . 64.33 111.92 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -76.01 -0.82 23.0 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 113.509 0.929 . . . . 62.14 113.509 -173.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.4 p -122.95 -43.91 2.21 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 119.796 1.18 . . . . 62.23 112.115 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -81.57 100.13 9.22 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.764 0.792 . . . . 63.01 110.506 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -44.26 -43.26 7.19 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 114.101 -1.409 . . . . 74.01 110.804 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -158.52 150.1 21.07 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.76 0.824 . . . . 73.3 109.087 158.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.41 134.38 44.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.871 1.668 . . . . 75.34 109.504 169.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -69.27 174.87 4.31 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 122.041 0.924 . . . . 73.41 111.012 167.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -18.96 63.54 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.695 1.598 . . . . 60.52 113.107 -172.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.1 m -82.29 -43.17 17.87 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 119.657 1.117 . . . . 51.23 109.308 167.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -62.75 -41.14 99.06 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.888 1.275 . . . . 55.21 111.572 -170.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -62.47 -19.97 64.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.494 1.294 . . . . 60.51 114.494 172.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.69 -42.82 17.61 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.579 -0.724 . . . . 72.23 110.494 166.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -53.01 -61.97 1.95 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 119.983 1.265 . . . . 62.03 110.867 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -72.23 -1.63 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.872 1.269 . . . . 64.24 111.51 -171.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.55 -47.23 6.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.52 1.128 . . . . 72.32 109.055 169.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -64.42 -50.51 67.28 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.495 -1.298 . . . . 72.43 107.495 -171.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -14.38 61.43 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 124.656 1.222 . . . . 75.44 112.225 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.4 mt -108.09 12.57 26.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.773 1.229 . . . . 74.1 110.125 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? 57.71 22.83 8.81 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.022 1.329 . . . . 42.4 112.551 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD13 ' CE2' ' A' ' 14' ' ' PHE . 8.9 mt -111.68 161.48 16.21 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 126.976 2.11 . . . . 61.4 107.841 -175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -75.63 152.7 37.57 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.556 -0.715 . . . . 72.24 109.324 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.81 -30.47 23.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.56 1.144 . . . . 75.2 111.949 171.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.36 -44.97 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.12 0 O-C-N 121.791 -0.568 . . . . 60.52 110.249 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.38 -43.95 75.62 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.412 -0.588 . . . . 53.04 109.412 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.79 -42.83 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.27 1.028 . . . . 74.3 111.233 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -61.19 -33.07 72.86 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.25 1.386 . . . . 75.4 111.489 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.1 mt -75.48 -33.21 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.473 -0.566 . . . . 75.51 109.473 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.512 ' CG ' HD23 ' A' ' 22' ' ' LEU . 3.8 t90 -68.31 -53.5 23.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.309 0.959 . . . . 64.45 110.44 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -60.28 -35.04 74.63 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 118.91 -0.567 . . . . 73.44 112.481 -175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.57 -45.32 79.68 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.12 0.873 . . . . 72.25 111.392 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -62.32 -34.67 77.06 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 123.119 0.568 . . . . 62.33 110.564 -171.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -83.29 -41.42 18.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 118.626 -0.702 . . . . 74.34 109.896 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -43.71 63.85 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 119.104 0.865 . . . . 63.02 110.174 176.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.65 -46.3 26.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 123.916 0.76 . . . . 44.41 109.814 -173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -65.18 -44.06 89.69 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 119.337 0.971 . . . . 61.41 110.25 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' HA ' HD12 ' A' ' 65' ' ' ILE . 1.9 t90 -63.03 -32.22 73.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 118.239 0.472 . . . . 73.31 110.119 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.8 -6.41 21.17 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.198 -1.564 . . . . 63.45 114.153 173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -86.86 -20.6 27.24 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.785 1.629 . . . . 73.02 112.441 166.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 62' ' ' TRP . 62.0 mt -75.64 -35.59 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.351 1.06 . . . . 71.25 110.939 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 62.62 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 128.761 2.824 . . . . 55.55 115.096 -171.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.52 85.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.775 1.23 . . . . 55.42 113.681 -160.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 74.75 0.44 Allowed Glycine 0 CA--C 1.524 0.626 0 O-C-N 124.646 1.216 . . . . 75.04 110.161 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -158.52 26.4 0.24 Allowed 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 128.555 2.742 . . . . 62.44 109.469 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.77 -17.53 19.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 121.746 -0.597 . . . . 63.01 111.475 173.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.247 0.974 0 C-N-CA 127.003 2.121 . . . . 64.45 108.234 177.298 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.693 0 N-CA-C 109.25 -1.54 . . . . 52.41 109.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.3 69.91 61.53 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 118.556 1.178 . . . . 51.41 111.672 -173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.51 178.6 4.25 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.376 2.051 . . . . 62.41 112.513 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.37 86.09 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 107.309 -2.316 . . . . 71.12 107.309 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.18 -174.96 52.98 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-N 117.56 0.68 . . . . 53.31 111.59 -173.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.45 -54.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.743 1.217 . . . . 73.54 109.172 165.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m 58.53 4.97 0.4 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.357 2.263 . . . . 64.12 115.177 177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.65 138.61 42.99 Favored 'General case' 0 C--N 1.341 0.224 0 O-C-N 120.177 -1.577 . . . . 71.54 110.249 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 75.11 123.93 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 127.552 2.341 . . . . 73.52 113.121 156.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.415 HH11 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -49.06 146.49 3.42 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.863 1.665 . . . . 72.34 111.935 -177.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -121.81 -173.25 2.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.081 1.752 . . . . 73.33 109.79 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 155.92 17.95 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.833 -1.173 . . . . 75.12 107.833 164.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.93 101.9 0.43 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.73 1.212 . . . . 73.33 109.619 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.64 135.02 53.69 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 126.937 2.095 . . . . 75.13 106.721 168.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 p -76.84 169.27 18.63 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.024 0.829 . . . . 73.22 110.987 168.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -68.25 -22.9 64.74 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 114.878 1.436 . . . . 71.25 114.878 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.52 -55.23 29.42 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 127.138 2.175 . . . . 72.54 108.063 167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.438 ' HA ' HD22 ' A' ' 44' ' ' LEU . 22.9 mt-30 -64.25 -32.56 74.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.967 0.907 . . . . 73.45 109.447 -176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.6 mt -75.71 -11.81 60.07 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.48 -0.772 . . . . 73.44 112.997 174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.74 -58.84 2.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 119.953 1.251 . . . . 71.51 108.594 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -50.83 -47.07 60.24 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.952 1.701 . . . . 73.42 109.31 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.3 mp -53.4 -33.48 53.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.204 1.802 . . . . 72.35 113.42 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -79.89 -26.84 40.09 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 119.31 0.959 . . . . 75.34 109.515 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -75.58 -47.23 27.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.84 -0.8 . . . . 52.01 108.84 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.09 -25.06 67.93 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 118.928 0.786 . . . . 72.11 112.352 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -56.39 -26.82 54.38 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.795 -0.566 . . . . 74.22 111.795 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -110.59 6.06 21.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.648 0.779 . . . . 55.04 113.083 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 m -74.78 -60.31 2.34 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 119.932 1.242 . . . . 74.54 111.772 170.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -139.18 137.45 36.05 Favored 'General case' 0 CA--C 1.52 -0.179 0 O-C-N 121.379 -0.826 . . . . 73.31 111.064 -156.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -55.93 -33.13 64.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.85 2.06 . . . . 70.13 113.924 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -155.04 156.16 35.41 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 107.494 -1.299 . . . . 74.04 107.494 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.34 127.6 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.024 -1.102 . . . . 73.04 108.024 167.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.1 m -71.31 178.25 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 123.892 0.877 . . . . 74.14 108.676 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -66.69 -42.33 86.62 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.065 -1.022 . . . . 65.21 109.569 -176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.1 m -55.21 -54.67 40.48 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 124.397 1.079 . . . . 70.31 111.27 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -48.79 68.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 108.27 -1.011 . . . . 62.14 108.27 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -69.49 -34.34 74.18 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 117.661 -1.162 . . . . 75.44 112.278 -175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 t -56.94 -43.98 82.04 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.019 1.328 . . . . 72.32 109.156 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -62.62 -55.45 26.96 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 117.934 -1.031 . . . . 72.33 110.264 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.97 -28.3 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 119.509 1.05 . . . . 75.01 111.152 -177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.26 -61.04 1.93 Allowed 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.114 -1.069 . . . . 64.35 108.114 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -69.79 -26.92 64.5 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 119.029 -0.51 . . . . 63.01 111.434 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.67 -25.1 67.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.756 0.707 . . . . 71.12 111.311 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 18' ' ' GLN . 87.3 mt -112.18 4.81 18.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.232 1.813 . . . . 72.31 110.932 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.33 29.71 2.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.015 2.126 . . . . 72.14 114.468 -174.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.68 171.95 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 126.609 1.964 . . . . 61.03 108.864 170.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 m -82.7 157.28 23.38 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 121.225 -0.922 . . . . 63.12 111.205 166.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -52.57 -45.5 66.45 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.796 0.839 . . . . 75.44 109.798 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.91 -37.91 81.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 118.608 -0.71 . . . . 71.01 112.06 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -56.15 -54.72 41.76 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.662 1.119 . . . . 74.04 108.626 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.98 -38.93 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.249 1.02 . . . . 74.12 109.766 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -56.99 -46.24 82.39 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 120.591 -1.318 . . . . 73.03 111.138 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 66.3 mt -65.68 -31.07 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.056 0.542 . . . . 74.24 110.123 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CD2' HD23 ' A' ' 22' ' ' LEU . 4.0 t90 -71.21 -54.69 10.08 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.464 1.029 . . . . 62.35 110.717 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -59.54 -32.26 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 119.003 -0.523 . . . . 74.42 112.238 -176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -67.08 -48.32 68.58 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.064 0.847 . . . . 75.53 110.674 171.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.9 -34.88 77.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.606 -0.516 . . . . 63.45 109.606 -167.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -72.0 -50.45 28.6 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.305 -0.998 . . . . 75.32 108.305 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -56.07 -38.62 70.9 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 119.451 1.023 . . . . 74.14 110.892 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.41 70.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 118.832 -0.604 . . . . 71.35 110.724 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -62.63 -45.46 92.75 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 108.453 -0.943 . . . . 54.22 108.453 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.93 -35.49 80.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 123.993 0.917 . . . . 75.22 110.95 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.71 -24.13 63.72 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 120.711 -1.243 . . . . 44.23 113.318 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.6 -24.94 58.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 120.289 1.404 . . . . 75.32 112.647 171.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -72.59 -16.1 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 125.414 1.485 . . . . 75.44 110.261 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.24 -9.37 2.14 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.274 -1.516 . . . . 72.33 112.885 169.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 44.74 79.14 0.05 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 127.863 2.465 . . . . 73.13 110.635 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -117.65 80.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 109.238 -1.545 . . . . 34.24 109.238 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -148.51 37.9 0.84 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.3 1.44 . . . . 55.15 110.388 169.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.264 33.0 m 51.94 29.65 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.349 1.86 . . . . 65.15 113.445 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 105.333 -2.099 . . . . 53.35 105.333 176.379 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.349 0 N-CA-C 110.178 -1.169 . . . . 45.3 110.178 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.33 152.73 58.0 Favored Pre-proline 0 CA--C 1.535 0.392 0 C-N-CA 125.296 1.438 . . . . 74.2 109.03 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.71 170.79 19.47 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.818 2.345 . . . . 73.23 111.589 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.61 -11.7 1.88 Allowed Glycine 0 CA--C 1.531 1.037 0 CA-C-O 117.898 -1.501 . . . . 64.43 114.427 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.1 103.62 0.9 Allowed Glycine 0 C--N 1.341 0.832 0 CA-C-N 120.488 2.144 . . . . 70.12 112.904 -163.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -157.29 41.17 0.31 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.052 1.341 . . . . 44.32 112.241 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -134.06 159.08 41.88 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.016 -1.052 . . . . 53.12 111.125 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -111.49 132.24 54.63 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 107.62 -1.252 . . . . 53.52 107.62 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -157.84 173.49 16.72 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.597 -1.26 . . . . 72.11 107.597 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -125.84 4.33 7.36 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.215 1.006 . . . . 64.24 112.269 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.84 -178.64 6.13 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 127.284 2.234 . . . . 62.4 105.39 171.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 m -132.04 166.2 22.26 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 105.996 -1.853 . . . . 72.13 105.996 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.25 85.43 0.39 Allowed 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.75 0.705 . . . . 51.34 110.04 -176.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.502 ' CE2' HD21 ' A' ' 22' ' ' LEU . 9.3 m-85 -114.67 134.9 54.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 104.33 -2.471 . . . . 64.11 104.33 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -90.07 157.39 17.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.157 -1.053 . . . . 53.13 108.157 174.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -55.55 -31.37 62.08 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.661 0.986 . . . . 71.4 113.661 -168.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.09 -47.76 77.41 Favored 'General case' 0 N--CA 1.458 -0.039 0 C-N-CA 125.442 1.497 . . . . 73.41 111.498 171.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.2 -38.89 72.04 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 125.799 1.64 . . . . 72.3 108.095 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.79 -19.06 65.75 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.71 -0.662 . . . . 75.24 111.059 175.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -58.4 5.07 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 119.737 1.153 . . . . 73.34 108.269 -177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -62.09 -38.11 87.6 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.313 1.445 . . . . 75.2 110.643 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.0 mp -58.08 -49.34 77.27 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.304 1.442 . . . . 75.43 110.919 173.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -75.63 -31.74 59.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.446 -0.946 . . . . 74.4 108.446 -170.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -54.62 -57.43 11.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.083 -0.71 . . . . 54.0 109.083 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.44 -24.27 59.05 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.926 0.49 . . . . 75.33 112.164 -175.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -60.71 -41.14 94.65 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 124.095 0.958 . . . . 75.43 111.025 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.78 0.98 18.62 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.269 0.47 . . . . 73.2 112.269 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 m -105.46 -68.75 0.85 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.932 1.293 . . . . 74.0 111.413 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -110.9 128.48 55.82 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 122.469 1.128 . . . . 60.44 111.974 -156.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -55.3 -31.13 61.38 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.586 1.154 . . . . 72.13 113.239 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -160.99 169.9 21.63 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.899 1.279 . . . . 75.0 109.487 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.4 127.23 56.05 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.31 1.444 . . . . 74.24 110.364 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.1 m -87.81 -171.67 3.52 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.785 1.634 . . . . 64.23 112.448 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.18 -15.82 62.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.802 1.641 . . . . 63.21 113.358 -166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.4 m -96.88 -51.36 4.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 107.431 -1.322 . . . . 63.0 107.431 169.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.07 -60.37 2.84 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.624 1.17 . . . . 72.24 110.813 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -63.98 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.961 0.904 . . . . 75.41 110.599 -174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -67.59 -46.25 73.16 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.037 1.335 . . . . 72.01 109.789 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -60.4 -58.38 8.74 Favored 'General case' 0 C--O 1.227 -0.101 0 C-N-CA 124.738 1.215 . . . . 73.0 109.343 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 mm -64.48 -13.91 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.517 0.727 . . . . 52.53 111.783 -173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 51' ' ' VAL . . . -84.56 -57.66 3.05 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.07 -1.018 . . . . 55.11 110.367 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -67.65 -33.55 75.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 119.117 -0.468 . . . . 62.23 111.062 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.98 -18.67 58.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.37 1.068 . . . . 43.2 112.825 175.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.0 mt -119.08 9.33 11.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 74.32 109.941 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tttt 56.55 3.98 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.783 2.833 . . . . 61.44 115.851 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.2 mt -72.77 168.36 18.96 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.38 0.991 . . . . 74.32 110.754 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.8 t -64.84 158.58 24.7 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.64 -1.245 . . . . 71.12 107.64 164.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -55.28 -44.38 75.63 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.015 -0.539 . . . . 75.1 111.108 170.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 52' ' ' LYS . 50.8 t -71.83 -33.34 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 115.999 -0.546 . . . . 61.13 109.991 -169.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.71 -48.83 66.35 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.547 0.739 . . . . 75.43 109.769 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 41' ' ' ALA . 38.9 t -63.05 -47.14 94.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.193 0.597 . . . . 64.02 110.359 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 49' ' ' VAL . 23.4 pttt -64.45 -30.33 71.37 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.557 0.617 . . . . 75.24 110.322 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.85 -41.52 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 118.502 -0.761 . . . . 74.21 109.867 174.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.582 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.8 t90 -63.58 -52.77 59.55 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 120.391 1.451 . . . . 63.32 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -54.58 -44.96 73.43 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.627 0.771 . . . . 72.31 110.597 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -67.58 -45.13 76.43 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 119.3 0.955 . . . . 71.41 112.341 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -62.5 -32.57 73.5 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.156 0.582 . . . . 72.31 110.096 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -78.36 -36.9 45.49 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.743 1.217 . . . . 72.24 110.312 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -56.57 -35.46 68.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.293 -0.88 . . . . 72.2 110.289 176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -51.82 31.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.094 0.406 . . . . 33.44 110.458 177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.82 81.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 118.848 -0.596 . . . . 73.23 111.579 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -69.1 -43.66 74.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 118.185 -0.912 . . . . 74.43 110.128 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -54.08 -40.26 67.05 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 120.068 1.304 . . . . 75.31 112.39 -172.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 47.2 mtt-85 -55.28 -35.42 65.04 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 113.502 0.927 . . . . 64.44 113.502 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.72 -24.39 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.809 1.644 . . . . 61.4 111.231 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -64.17 -11.42 30.43 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 120.536 -1.353 . . . . 75.03 111.725 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.99 -58.41 0.57 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 130.222 3.409 . . . . 74.02 109.592 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 -169.17 32.95 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.181 -1.168 . . . . 75.31 110.181 -169.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 49.73 44.16 24.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.41 1.484 . . . . 74.01 113.48 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t 54.78 34.05 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 125.395 1.478 . . . . 75.01 111.224 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.252 1.196 0 C-N-CA 128.053 2.541 . . . . 74.34 109.833 179.05 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 108.738 -1.745 . . . . 72.41 108.738 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.05 165.14 14.12 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 117.676 0.738 . . . . 61.14 109.544 161.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.9 170.41 10.27 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.468 2.112 . . . . 72.3 110.481 161.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.23 56.25 0.48 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 109.641 -1.384 . . . . 61.35 109.641 -173.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.83 120.56 0.14 Allowed Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.446 1.022 . . . . 44.32 111.226 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -137.54 45.74 2.16 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.514 -0.992 . . . . 73.33 112.8 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.48 158.12 41.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 72.24 110.985 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 174.35 147.36 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 130.09 3.356 . . . . 74.22 107.796 166.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -154.62 78.79 1.08 Allowed 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.361 -0.978 . . . . 74.32 108.361 163.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -133.77 127.04 31.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.422 1.489 . . . . 62.34 109.616 -172.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 45.56 84.07 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 127.554 2.342 . . . . 74.22 110.208 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 163.52 6.58 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.546 1.938 . . . . 62.24 111.645 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.72 95.19 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.726 1.61 . . . . 74.02 110.299 164.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 46' ' ' LEU . 3.7 m-85 -112.94 122.7 48.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 106.665 -1.606 . . . . 74.44 106.665 169.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.8 p -72.75 170.93 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.305 1.05 . . . . 73.44 110.358 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.1 p -56.08 -40.15 73.18 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 125.46 1.504 . . . . 60.33 114.335 -177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -56.08 -51.86 66.34 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 125.674 1.589 . . . . 75.0 109.345 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HA ' HD22 ' A' ' 44' ' ' LEU . 36.5 mt-30 -65.45 -37.41 86.79 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.04 1.336 . . . . 75.3 108.323 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.7 -14.03 60.33 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.076 -0.964 . . . . 71.11 112.562 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -61.88 1.65 Allowed 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.255 1.422 . . . . 72.3 107.39 -172.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -61.91 -38.65 89.18 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.685 3.194 . . . . 75.33 109.923 -171.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -56.74 -39.97 74.92 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.12 1.768 . . . . 74.32 112.235 175.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -83.72 -29.61 27.38 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.088 0.404 . . . . 73.42 109.999 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -59.57 -56.29 23.8 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.898 -1.149 . . . . 73.33 107.898 172.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.01 -27.7 69.06 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.557 0.577 . . . . 55.23 112.557 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -61.29 -27.75 68.7 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.566 0.621 . . . . 71.34 112.424 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.87 -23.88 10.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.595 1.558 . . . . 75.33 112.015 -178.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.08 -42.45 63.0 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 121.407 -0.808 . . . . 63.02 109.884 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.27 -179.29 5.54 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.843 1.257 . . . . 63.01 109.03 -173.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 -13.82 7.48 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.924 1.289 . . . . 62.01 112.894 -174.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -157.73 168.05 28.31 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 124.904 1.282 . . . . 63.32 108.149 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.3 mt -109.86 112.72 24.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.764 -1.198 . . . . 74.41 107.764 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.13 162.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.091 1.756 . . . . 74.02 110.08 165.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.8 -41.11 66.94 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.508 1.049 . . . . 62.23 111.55 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.4 m -74.69 -34.92 62.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.455 1.502 . . . . 74.03 111.694 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.01 -47.82 73.22 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 120.837 -1.164 . . . . 63.04 108.932 173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -67.51 -8.92 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 126.992 2.117 . . . . 74.43 112.431 178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -88.45 -55.17 3.84 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 125.105 1.362 . . . . 74.3 110.64 164.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -52.24 -57.4 9.81 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 124.31 1.044 . . . . 73.13 110.635 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.04 -3.0 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 124.496 1.119 . . . . 75.42 111.579 -174.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.18 -63.27 1.32 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 120.804 -1.185 . . . . 64.14 109.163 164.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -66.73 -36.39 82.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.966 0.358 . . . . 65.01 111.966 -169.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.12 -26.49 68.33 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 123.465 0.706 . . . . 62.0 111.528 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 18' ' ' GLN . 92.9 mt -111.17 12.0 21.85 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.289 1.436 . . . . 73.43 109.548 -173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 mttm 54.78 22.99 4.51 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 125.715 1.606 . . . . 74.23 113.862 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.409 HD13 ' CE2' ' A' ' 14' ' ' PHE . 10.1 mt -99.51 162.2 13.16 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.787 -1.196 . . . . 52.34 110.269 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.2 t -75.43 149.19 38.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 105.977 -1.86 . . . . 64.02 105.977 170.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.65 -38.62 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 125.323 1.449 . . . . 72.42 111.447 169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.47 -40.29 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 123.153 0.581 . . . . 72.44 110.065 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -58.71 -45.08 90.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.89 -0.781 . . . . 62.42 108.89 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -70.73 -41.71 77.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 122.94 0.496 . . . . 72.41 110.663 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.42 -28.81 65.59 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.27 -0.894 . . . . 70.2 110.533 177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.3 mt -84.38 -34.98 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.331 1.052 . . . . 74.24 110.782 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 22' ' ' LEU . 15.7 t90 -64.07 -50.15 69.49 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 120.49 1.495 . . . . 41.41 110.847 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.87 -41.42 95.94 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.839 0.456 . . . . 74.22 111.498 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.29 -39.82 93.03 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.727 -0.608 . . . . 72.41 110.595 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.0 -35.72 82.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.054 -1.091 . . . . 74.23 108.054 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -73.3 -44.23 59.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.694 -0.484 . . . . 71.11 109.694 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -59.14 -16.98 22.84 Favored 'General case' 0 C--N 1.342 0.256 0 O-C-N 121.598 -0.689 . . . . 62.03 112.278 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.37 -48.95 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.356 0.98 . . . . 72.41 112.76 169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -29.53 70.43 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 120.464 1.484 . . . . 55.51 111.928 -175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -74.25 -48.99 25.15 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.056 -0.72 . . . . 75.33 109.056 173.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -66.04 -13.5 60.05 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.544 0.942 . . . . 72.43 113.544 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -18.15 64.56 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 120.378 -1.451 . . . . 73.43 113.748 167.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.8 mt -93.64 -33.86 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 124.689 1.196 . . . . 74.23 110.693 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.291 0.0 OUTLIER -61.63 80.11 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 126.416 1.886 . . . . 72.31 111.411 -173.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.45 -62.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 126.443 1.897 . . . . 54.34 108.817 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.38 -52.0 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 108.421 -1.872 . . . . 34.04 108.421 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -140.61 34.66 1.82 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.091 1.356 . . . . 74.43 112.944 -171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.351 2.9 p 63.94 8.0 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 127.777 2.431 . . . . 74.35 116.595 175.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.249 1.044 0 CA-C-N 119.877 1.217 . . . . 75.31 109.379 161.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 109.724 -1.35 . . . . 74.13 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.94 85.91 5.5 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.507 1.523 . . . . 63.23 107.816 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.41 -50.51 2.59 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 121.659 1.573 . . . . 61.45 110.028 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.77 74.38 0.18 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 106.765 -2.534 . . . . 63.13 106.765 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.23 -164.16 54.25 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-O 121.948 0.749 . . . . 72.34 112.875 173.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -60.33 166.54 2.95 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.74 1.616 . . . . 74.34 111.662 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m -156.9 156.47 33.15 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.774 0.797 . . . . 75.33 109.841 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.4 mmt-85 -84.24 163.82 19.45 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.459 -0.941 . . . . 75.35 108.459 165.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -130.52 141.99 50.48 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.365 -0.976 . . . . 62.53 108.365 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -79.3 112.71 16.8 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.257 -1.386 . . . . 74.54 107.257 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 14.21 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.085 0.954 . . . . 74.21 111.381 174.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m 74.55 166.14 0.29 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.986 1.715 . . . . 62.23 110.691 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.3 79.1 3.82 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 120.892 -1.13 . . . . 40.33 108.989 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.487 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 4.6 m-85 -109.37 128.86 55.44 Favored 'General case' 0 C--O 1.242 0.669 0 C-N-CA 126.622 1.969 . . . . 74.33 106.23 173.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -78.47 170.52 16.51 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.493 1.14 . . . . 72.03 110.424 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -37.12 62.88 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.725 2.41 . . . . 74.33 114.405 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -65.34 -50.13 66.78 Favored 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 124.765 1.226 . . . . 53.42 108.776 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -64.06 -33.91 76.83 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.252 -0.885 . . . . 73.22 108.69 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.94 -15.11 63.0 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.504 -0.76 . . . . 54.23 112.3 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.17 -54.09 5.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 108.143 -1.058 . . . . 65.32 108.143 -176.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.36 -33.27 75.57 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.554 0.742 . . . . 74.31 110.754 -170.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.9 mp -54.0 -52.92 59.22 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.3 1.84 . . . . 74.23 110.935 170.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -77.61 -27.79 51.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 118.121 -0.942 . . . . 64.53 109.105 -168.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -70.35 -34.65 72.89 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 119.782 -0.767 . . . . 63.35 110.809 176.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.88 -34.64 69.33 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.625 0.648 . . . . 74.21 110.681 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' A' ' 58' ' ' GLU . 79.9 t80 -63.19 -43.79 97.19 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.708 1.14 . . . . 72.35 113.22 -173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.82 3.21 17.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.572 0.582 . . . . 73.55 112.572 178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.9 t -109.33 -49.12 3.15 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.901 1.68 . . . . 53.23 110.568 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.34 135.53 49.49 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 124.371 1.068 . . . . 73.12 111.018 -167.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -37.32 86.22 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.248 1.019 . . . . 63.31 112.23 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -163.13 163.86 25.55 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.272 1.429 . . . . 72.24 108.213 171.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.1 121.8 29.22 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.47 1.508 . . . . 71.45 108.865 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.4 m -58.87 175.01 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.358 1.063 . . . . 63.23 110.655 159.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -55.34 -54.4 44.06 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.1 -1.0 . . . . 71.31 110.421 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 m -60.72 -44.84 96.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.866 0.866 . . . . 73.11 110.686 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HA ' HE21 ' A' ' 39' ' ' GLN . 60.3 mt-10 -58.49 -45.34 88.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.266 1.027 . . . . 72.45 110.745 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' HD2' ' HB3' ' A' ' 48' ' ' GLU . 7.2 ttm180 -65.61 -6.63 11.65 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 126.088 1.755 . . . . 73.31 113.809 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 t -108.48 -31.66 7.72 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.515 1.926 . . . . 50.22 110.069 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.455 HE21 ' HA ' ' A' ' 36' ' ' GLU . 22.1 mt-30 -61.91 -59.5 5.03 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 125.536 1.535 . . . . 72.31 108.963 169.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.83 -8.53 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.897 1.279 . . . . 65.25 111.499 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.04 -63.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.52 1.128 . . . . 31.32 108.388 169.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.8 -36.44 84.34 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.4 0.545 . . . . 74.21 111.303 -172.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.39 -27.87 62.71 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.755 0.822 . . . . 72.31 112.244 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.49 18.36 8.15 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.056 1.342 . . . . 75.11 108.982 -177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 67.07 12.11 8.78 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.788 1.403 . . . . 75.43 114.788 164.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 8.0 mt -96.96 168.07 10.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 123.933 0.893 . . . . 61.33 109.693 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.38 153.26 43.85 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.513 -0.551 . . . . 74.12 109.513 167.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 37' ' ' ARG . 75.0 mt-10 -48.73 -45.27 39.29 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.915 1.286 . . . . 74.44 111.774 172.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.385 -0.825 . . . . 75.45 109.462 -174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -54.62 -44.22 72.94 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.845 0.858 . . . . 73.45 109.376 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.84 -54.51 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.476 1.11 . . . . 61.11 109.337 174.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -53.52 -33.05 53.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.668 0.787 . . . . 73.42 112.627 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mm -71.25 -32.72 48.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.507 1.049 . . . . 63.22 110.199 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.1 t90 -71.45 -53.4 14.1 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.621 1.1 . . . . 63.42 109.499 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -60.57 -38.22 83.85 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.45 0.568 . . . . 71.14 111.683 -176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -65.27 -38.46 90.37 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 120.0 -1.688 . . . . 75.23 111.37 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -73.07 -19.66 61.13 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 123.359 0.664 . . . . 61.34 110.569 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HG3' ' CE1' ' A' ' 26' ' ' PHE . 3.1 pt-20 -91.71 -46.19 8.04 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.06 -0.718 . . . . 65.55 109.06 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -54.85 -42.03 71.48 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 119.186 0.903 . . . . 70.21 110.356 -177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.41 76.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 118.481 -0.771 . . . . 72.14 111.793 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 pttt -63.15 -44.62 95.02 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 108.527 -0.916 . . . . 70.35 108.527 176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -70.55 -34.59 72.42 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.191 0.596 . . . . 74.54 109.513 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -64.66 -11.72 38.52 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 121.027 -1.046 . . . . 72.31 113.115 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -79.14 -10.36 59.8 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.229 1.377 . . . . 70.54 112.547 172.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.8 mt -109.07 -1.17 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 126.458 1.903 . . . . 74.24 110.431 -169.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.85 49.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.327 -1.483 . . . . 72.21 113.664 -178.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.41 19.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 129.499 3.12 . . . . 73.42 114.471 -167.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.05 40.33 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 127.738 2.59 . . . . 45.41 115.101 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.27 19.64 2.95 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.412 1.885 . . . . 74.51 110.96 -177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.339 5.8 p 53.69 20.32 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 C-N-CA 127.287 2.235 . . . . 65.4 114.201 -173.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.994 2.518 . . . . 74.43 110.932 -179.456 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.695 0 CA-C-O 118.897 -0.946 . . . . 43.33 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.75 55.49 12.13 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 126.648 1.979 . . . . 75.42 114.224 169.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.03 160.84 42.56 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.655 2.237 . . . . 74.42 111.869 -173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.93 51.8 0.1 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.106 -1.198 . . . . 75.03 110.106 -176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 147.26 49.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.714 -0.954 . . . . 73.24 110.714 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -168.43 146.03 4.07 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 127.457 2.303 . . . . 71.44 107.787 171.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 m -60.65 149.42 35.19 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.171 0.588 . . . . 53.44 109.769 168.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 100.62 5.96 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 120.452 -1.405 . . . . 61.35 109.132 175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.4 mtt-85 -75.85 175.24 8.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.316 1.446 . . . . 72.41 109.669 177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 48.56 74.29 0.18 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.89 2.476 . . . . 64.33 110.655 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.76 127.54 8.82 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.983 0.913 . . . . 75.35 109.114 177.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -62.7 168.57 3.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.686 1.994 . . . . 50.34 109.327 167.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.82 78.7 6.06 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 119.872 -1.767 . . . . 70.14 111.308 -171.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -96.02 128.21 42.71 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 125.341 1.457 . . . . 74.34 107.978 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.8 p -73.09 167.91 20.16 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.279 0.561 . . . . 75.43 112.069 172.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -62.34 -30.04 70.89 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 117.11 -1.424 . . . . 74.22 113.341 -176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -51.85 -56.56 13.28 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 125.042 1.337 . . . . 74.53 108.657 171.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.578 ' HA ' HD22 ' A' ' 44' ' ' LEU . 25.3 mt-30 -63.83 -40.31 96.29 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.381 -1.282 . . . . 74.31 108.379 -174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.87 -23.91 65.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.015 -0.993 . . . . 72.24 112.703 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tt -68.78 -55.44 11.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 120.579 1.536 . . . . 54.25 108.462 -174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -59.33 -42.45 91.49 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 125.539 1.535 . . . . 74.33 110.015 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.34 -23.8 61.99 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.102 -0.951 . . . . 73.53 111.715 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 -82.17 -27.04 32.88 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.769 1.168 . . . . 60.33 109.016 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -73.66 -67.98 0.55 Allowed 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 124.686 1.194 . . . . 74.21 110.376 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.39 -20.07 58.24 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.687 1.195 . . . . 73.14 110.8 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -56.0 -28.43 57.22 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.313 -1.492 . . . . 75.15 113.568 173.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -75.07 -15.7 60.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 120.384 1.447 . . . . 64.13 112.802 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.6 t -73.28 -53.23 11.36 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.071 0.948 . . . . 71.34 110.103 173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -163.74 -174.04 3.5 Favored 'General case' 0 N--CA 1.461 0.125 0 O-C-N 121.474 -0.767 . . . . 74.41 110.476 -160.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -29.0 7.64 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.947 1.299 . . . . 64.33 111.402 178.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -140.12 150.13 43.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.815 1.646 . . . . 73.23 106.914 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.92 154.34 41.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.298 -1.001 . . . . 71.32 108.298 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 169.26 3.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.47 1.108 . . . . 75.42 110.772 172.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.49 -47.5 85.86 Favored 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 124.653 1.181 . . . . 60.53 109.945 -176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m -61.91 -29.27 70.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.387 0.675 . . . . 75.45 111.967 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.87 -45.83 14.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.018 -1.105 . . . . 54.04 108.018 -170.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -52.11 -42.38 63.23 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.678 -0.677 . . . . 64.21 109.961 162.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.3 t -61.05 -21.03 63.24 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.418 -1.277 . . . . 71.52 112.836 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -79.24 -68.17 0.69 Allowed 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 122.141 2.246 . . . . 72.51 107.206 170.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.4 -26.31 36.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 125.198 1.399 . . . . 75.11 112.453 -169.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.51 -45.83 21.03 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.539 -0.911 . . . . 73.34 108.539 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -70.23 -34.4 72.82 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 119.749 -0.78 . . . . 75.45 109.927 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -16.34 63.36 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 123.524 0.515 . . . . 73.54 111.025 -176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD22 ' HA ' ' A' ' 18' ' ' GLN . 64.3 mt -127.87 9.52 6.39 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.577 1.551 . . . . 71.51 111.802 -173.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? 56.01 16.37 2.15 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.572 1.549 . . . . 64.42 114.278 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.83 161.26 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 119.492 1.042 . . . . 71.54 109.584 -175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m -77.44 149.43 35.09 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 108.642 -0.873 . . . . 65.15 108.642 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -54.71 -34.18 62.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.912 1.285 . . . . 63.53 110.401 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.21 -48.03 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.46 1.104 . . . . 73.03 109.785 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -54.46 -46.89 73.43 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.049 -1.093 . . . . 70.32 108.049 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.22 -52.11 64.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 124.571 1.148 . . . . 63.15 109.699 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -60.44 -27.24 67.35 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.64 -0.663 . . . . 72.35 111.354 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.1 mt -79.11 -39.95 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 118.252 -0.88 . . . . 53.22 110.524 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -69.6 -46.19 66.86 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 121.434 1.924 . . . . 75.54 109.994 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.89 -51.49 56.46 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.868 0.758 . . . . 72.22 110.125 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -62.55 -40.99 98.59 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 113.124 0.787 . . . . 52.12 113.124 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -66.11 -43.18 87.96 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.048 -1.093 . . . . 72.31 108.048 -174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.73 -33.1 58.16 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.28 -1.327 . . . . 53.22 109.528 -172.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -65.35 -38.48 90.21 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.942 -0.552 . . . . 72.44 110.624 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.19 72.76 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.011 -0.518 . . . . 71.44 109.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -63.94 -42.41 97.34 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.612 -0.709 . . . . 75.02 110.006 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -66.79 -30.76 71.04 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.881 0.764 . . . . 74.21 110.278 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -21.23 64.27 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 116.685 -1.626 . . . . 74.45 113.309 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -81.82 -10.84 59.21 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 119.846 1.203 . . . . 73.35 112.424 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.8 mt -81.36 -16.74 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 124.72 1.208 . . . . 71.14 110.498 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -65.26 79.15 0.06 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.092 0.957 . . . . 63.15 108.785 171.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.62 62.9 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.376 1.47 . . . . 75.13 109.159 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.32 18.66 76.96 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 125.659 1.599 . . . . 73.02 113.065 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -162.81 147.41 11.68 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.459 2.304 . . . . 73.42 106.868 173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.76 32.08 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 125.981 1.713 . . . . 64.24 113.077 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 117.333 -1.317 . . . . 53.11 111.862 -170.52 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.749 0 CA-C-O 121.373 0.43 . . . . 50.4 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.65 164.99 19.94 Favored Pre-proline 0 C--O 1.242 0.684 0 C-N-CA 125.694 1.597 . . . . 71.53 108.53 170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -63.98 150.56 88.1 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.765 1.644 . . . . 53.1 110.76 170.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.48 -36.83 32.78 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 109.912 -1.275 . . . . 72.2 109.912 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.56 -132.12 51.51 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 124.717 1.151 . . . . 22.24 111.122 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 51.76 21.37 1.37 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.25 1.82 . . . . 72.32 113.487 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -148.36 85.28 1.51 Allowed 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.106 1.362 . . . . 74.53 108.765 -167.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -126.96 -10.39 6.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.559 1.144 . . . . 72.54 113.043 168.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.2 112.16 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 123.878 0.871 . . . . 74.44 108.844 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -139.24 20.79 2.59 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.149 1.38 . . . . 73.41 111.108 164.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 168.15 20.49 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 120.253 -1.529 . . . . 74.22 109.819 -174.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.64 -175.0 4.4 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.241 0.928 . . . . 42.1 110.355 -171.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.26 82.31 3.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.618 -1.301 . . . . 50.51 110.869 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.07 121.36 44.33 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 104.552 -2.388 . . . . 50.5 104.552 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.7 p -68.45 160.7 29.2 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 122.413 1.101 . . . . 42.31 109.094 173.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -60.19 -31.77 70.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.418 -0.801 . . . . 73.14 110.265 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -56.78 -26.21 57.11 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 127.686 2.394 . . . . 62.24 112.172 175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.45 -41.58 9.73 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 125.637 1.575 . . . . 73.14 108.995 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.95 -22.25 66.84 Favored 'General case' 0 C--N 1.339 0.138 0 O-C-N 121.817 -0.552 . . . . 70.03 111.986 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -56.69 18.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.781 1.232 . . . . 70.21 109.387 171.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -76.01 -29.28 58.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.267 1.027 . . . . 61.14 110.119 -167.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.59 -18.78 58.45 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 124.97 1.308 . . . . 73.21 112.641 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -80.19 -43.01 22.26 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.253 -1.017 . . . . 71.02 108.253 167.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -77.03 -30.83 55.92 Favored 'General case' 0 N--CA 1.46 0.035 0 CA-C-O 116.748 -1.596 . . . . 74.2 113.435 -173.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -23.74 67.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 121.374 1.897 . . . . 65.34 111.347 174.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.14 -13.78 62.62 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.951 0.722 . . . . 72.21 112.951 -171.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -117.06 24.91 10.86 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.565 1.946 . . . . 73.43 110.663 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.36 -53.02 1.38 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.752 0.821 . . . . 73.1 111.255 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -107.63 141.75 38.63 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.409 0.684 . . . . 74.33 110.315 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.27 -31.14 60.67 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 118.087 -0.959 . . . . 54.51 111.868 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -164.83 161.85 20.57 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.803 1.241 . . . . 43.24 108.808 170.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 55' ' ' PHE . 9.1 mp -106.18 119.49 39.36 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.862 1.265 . . . . 74.31 108.941 170.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.2 m -74.35 -177.37 3.02 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.988 1.315 . . . . 74.4 110.778 161.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.52 -56.78 12.87 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 124.672 1.189 . . . . 54.5 112.051 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.5 m -48.0 -53.27 16.73 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.621 1.169 . . . . 44.11 110.773 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.97 -58.38 8.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.734 1.214 . . . . 74.21 109.211 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -71.21 -23.04 61.94 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-O 117.747 -1.12 . . . . 73.01 112.456 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 t -62.63 -47.39 83.93 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 119.681 1.128 . . . . 72.11 108.522 171.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -62.68 -58.58 6.99 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.894 0.878 . . . . 71.0 110.169 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mm -66.05 -11.14 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.639 0.776 . . . . 64.12 111.626 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.65 -58.44 2.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.157 -0.965 . . . . 64.12 109.599 171.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -64.63 -34.08 77.44 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 118.436 0.562 . . . . 70.14 110.861 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.39 -27.29 68.44 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.755 1.222 . . . . 73.43 112.143 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.1 mt -118.81 32.08 6.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.006 1.722 . . . . 70.0 107.885 -173.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 tmtp? 54.61 25.59 6.51 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.785 1.402 . . . . 64.0 114.785 166.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 34.0 mt -120.94 168.77 11.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.349 1.46 . . . . 74.13 109.831 -175.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 158.14 20.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.711 0.804 . . . . 61.2 109.26 163.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.38 -43.46 61.89 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.624 1.17 . . . . 74.03 110.641 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.68 -40.66 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 C-N-CA 124.16 0.984 . . . . 72.24 110.621 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -56.15 -53.39 57.68 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.446 -0.946 . . . . 71.02 108.446 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.41 -44.04 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.019 0.528 . . . . 73.03 109.726 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -55.72 -43.92 77.01 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.205 -0.934 . . . . 73.4 110.499 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 57.7 mt -65.48 -43.39 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 118.993 0.815 . . . . 54.44 110.123 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -67.03 -50.15 62.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 119.85 1.205 . . . . 74.02 110.229 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' CE2' HD13 ' A' ' 32' ' ' LEU . 9.0 m-85 -54.37 -46.56 73.06 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.372 0.669 . . . . 71.1 111.054 179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.84 -36.01 82.52 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.228 0.922 . . . . 63.22 112.913 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -75.46 -26.32 58.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 122.125 0.17 . . . . 65.12 110.682 -174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -50.14 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.001 -1.111 . . . . 72.22 108.001 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -50.68 -43.26 57.48 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 119.194 0.906 . . . . 74.1 111.138 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.9 -13.05 59.27 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 124.48 1.112 . . . . 74.12 112.718 -170.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -89.83 -43.0 10.94 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.275 0.943 . . . . 74.4 109.108 165.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -61.91 -37.53 84.96 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 118.597 0.635 . . . . 72.11 111.085 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -62.58 1.11 0.4 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.819 1.044 . . . . 73.11 113.819 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -111.68 -12.2 13.91 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.934 1.294 . . . . 74.22 111.938 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.61 -79.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 103.903 -2.628 . . . . 73.12 103.903 164.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.268 0.0 OUTLIER 45.66 -6.01 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.504 2.722 . . . . 53.23 116.817 -168.515 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 48.27 37.05 7.7 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.85 2.06 . . . . 50.23 112.888 -171.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.94 69.51 3.36 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 109.721 -1.352 . . . . 62.31 109.721 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.06 32.51 0.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.703 1.601 . . . . 70.1 107.126 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.59 -10.29 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 O-C-N 121.055 -1.028 . . . . 74.41 110.952 -174.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.25 1.096 0 C-N-CA 127.397 2.279 . . . . 73.52 109.326 171.617 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.58 0 N-CA-C 109.636 -1.386 . . . . 43.14 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 42.31 68.45 2.73 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 126.241 1.817 . . . . 34.23 113.28 150.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.63 144.04 35.01 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.709 1.606 . . . . 73.14 110.065 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 12.93 4.59 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.27 0.938 . . . . 32.43 113.586 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -90.5 162.57 29.37 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.743 -1.343 . . . . 51.51 109.743 169.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -132.73 157.76 44.1 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 125.024 1.33 . . . . 55.5 108.294 167.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.9 m 65.91 -34.74 0.2 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.816 2.446 . . . . 52.1 116.506 167.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 48.23 51.0 15.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.962 1.705 . . . . 72.43 113.312 160.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -133.16 155.85 48.55 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.493 -1.379 . . . . 52.01 110.514 -169.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 46.89 -178.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.565 2.346 . . . . 75.44 113.167 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -79.24 162.53 25.63 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 120.439 -1.413 . . . . 71.41 109.354 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 12' ' ' THR . 31.8 m -94.97 26.0 3.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.533 1.533 . . . . 52.21 112.859 173.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 74.97 34.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.112 0.782 . . . . 64.51 113.112 156.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -87.99 126.47 35.09 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.208 -1.404 . . . . 53.24 107.208 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.5 p -67.43 173.39 4.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.148 0.979 . . . . 63.13 110.248 168.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -60.86 -36.65 79.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.124 -0.985 . . . . 74.51 112.182 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.34 -60.45 3.33 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 124.582 1.153 . . . . 74.35 110.155 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.291 0.0 OUTLIER -64.98 -8.67 16.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 116.37 1.989 . . . . 74.24 116.37 175.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.3 mt -96.56 -27.63 14.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 119.074 0.852 . . . . 55.03 113.181 171.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.46 -53.6 13.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 119.257 0.935 . . . . 70.11 110.414 -169.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.08 -37.66 85.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.705 1.202 . . . . 55.33 109.478 -176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.59 -38.82 87.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.663 1.185 . . . . 75.55 110.996 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -72.88 -31.77 64.93 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.161 -0.923 . . . . 73.31 108.568 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -70.96 -56.18 6.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.028 0.83 . . . . 72.34 110.958 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.38 -30.23 68.27 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-O 118.436 -0.792 . . . . 73.35 110.587 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -63.69 -23.13 67.24 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.222 0.919 . . . . 61.33 113.096 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.95 -38.51 14.42 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 121.136 -0.978 . . . . 61.35 108.855 177.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.2 m -59.89 -50.28 74.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.53 0.732 . . . . 24.13 111.298 174.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -153.63 -174.59 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.505 1.922 . . . . 72.55 107.192 -169.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -26.2 10.86 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 121.304 -0.873 . . . . 74.44 112.866 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -160.44 162.71 33.28 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 108.107 -1.071 . . . . 75.04 108.107 177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.39 172.65 6.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.664 1.186 . . . . 60.54 109.328 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.56 173.51 11.9 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.496 0.719 . . . . 75.42 109.943 165.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -54.34 -61.38 2.34 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 125.947 1.699 . . . . 73.24 110.653 -166.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.7 m -55.3 -45.69 76.25 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.921 1.288 . . . . 74.13 110.548 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -67.87 -45.09 75.51 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.664 -0.648 . . . . 72.14 110.354 -173.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.13 -26.99 68.06 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.175 -0.953 . . . . 64.45 112.294 173.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -44.5 96.72 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 118.848 0.749 . . . . 74.11 109.628 171.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -54.72 -53.53 53.8 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.743 0.701 . . . . 60.14 110.14 175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.3 mm -71.6 2.16 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.0 0.92 . . . . 53.01 111.697 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.37 -54.93 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 120.92 -1.113 . . . . 63.55 110.184 167.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -62.2 -36.73 82.81 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.877 1.271 . . . . 72.35 111.307 -174.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.64 -19.62 65.81 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 119.39 0.996 . . . . 61.31 112.128 177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -111.42 6.69 20.47 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.629 1.571 . . . . 73.35 109.99 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 61.33 1.11 0.49 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.47 2.308 . . . . 73.44 114.778 -172.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 67.2 mt -73.04 170.56 14.61 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.53 1.157 . . . . 51.14 111.572 -173.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.5 m -85.39 147.02 26.71 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 107.79 -1.189 . . . . 75.34 107.79 163.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -48.52 -47.89 38.69 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.689 1.196 . . . . 62.41 110.649 176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -39.91 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 123.751 0.82 . . . . 71.41 110.155 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -57.94 -51.62 68.9 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.141 0.882 . . . . 73.23 109.123 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.49 -52.23 62.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 125.42 1.488 . . . . 53.11 108.842 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -58.36 -36.6 73.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.711 0.804 . . . . 74.04 111.743 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.32 -36.03 59.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-N 119.592 1.087 . . . . 74.41 109.846 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -65.66 -53.12 45.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 120.595 1.543 . . . . 74.43 109.896 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -51.5 -43.92 62.37 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.583 0.753 . . . . 75.52 111.557 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -71.26 -33.92 70.25 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.267 0.84 . . . . 73.44 113.267 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -78.48 -24.07 46.12 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.215 0.606 . . . . 75.04 110.86 -176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -74.04 -41.19 62.16 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.066 -1.087 . . . . 71.43 108.066 169.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -7.94 2.33 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.91 1.284 . . . . 74.33 114.256 177.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.17 -51.33 3.54 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 119.302 0.956 . . . . 75.22 110.939 166.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -25.03 67.09 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.697 1.135 . . . . 55.23 111.928 -172.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -75.43 -30.04 59.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 119.24 -0.409 . . . . 73.45 110.093 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.35 -27.83 66.29 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 120.279 -1.513 . . . . 74.24 112.394 178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -67.93 -23.63 65.1 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 119.807 1.185 . . . . 62.13 113.403 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.5 mm -60.93 -34.9 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.876 1.271 . . . . 61.34 111.559 -178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 82.26 0.36 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.825 1.25 . . . . 74.32 108.354 -172.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.76 -62.31 1.74 Allowed 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.146 1.778 . . . . 64.23 108.641 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.7 -25.63 1.05 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 115.64 -0.709 . . . . 73.42 114.162 174.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.51 38.77 3.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.827 1.651 . . . . 72.41 108.396 -169.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -69.31 -18.43 22.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 O-C-N 121.441 -0.787 . . . . 72.33 110.49 158.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.25 1.13 0 N-CA-C 103.988 -2.597 . . . . 74.31 103.988 162.034 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.883 0 N-CA-C 110.824 -0.911 . . . . 72.03 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.73 57.81 12.84 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.308 1.843 . . . . 75.43 113.874 165.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.17 -55.5 1.86 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.683 2.922 . . . . 61.02 112.936 -164.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.6 156.12 23.47 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 106.43 -2.668 . . . . 72.02 106.43 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.71 -102.65 0.28 Allowed Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 118.269 1.034 . . . . 71.04 112.431 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -117.93 95.69 5.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.675 -1.231 . . . . 73.02 107.675 -162.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 m -143.98 -85.17 0.14 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.803 1.241 . . . . 34.25 110.147 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -63.74 149.76 46.01 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.717 -0.845 . . . . 74.33 108.717 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.9 ttt-85 67.06 174.49 0.25 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.038 0.935 . . . . 73.02 111.853 168.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 57.75 74.88 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.801 1.64 . . . . 73.41 111.698 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -72.78 -164.71 0.17 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.214 1.006 . . . . 72.14 111.264 165.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -129.56 161.15 31.17 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 128.937 2.895 . . . . 52.5 107.824 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.63 96.15 0.92 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.857 -1.164 . . . . 51.13 107.857 171.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 46' ' ' LEU . 3.3 m-85 -110.13 139.54 45.17 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 104.402 -2.444 . . . . 65.04 104.402 168.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 p -87.49 157.8 19.1 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 108.802 -0.814 . . . . 53.44 108.802 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.8 p -62.26 -16.2 52.16 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 114.95 1.463 . . . . 64.14 114.95 -168.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.89 -53.61 25.27 Favored 'General case' 0 C--O 1.224 -0.24 0 C-N-CA 126.612 1.965 . . . . 72.41 108.982 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -64.69 -33.9 77.04 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.074 1.35 . . . . 64.5 108.421 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.0 mp -73.05 -20.63 60.94 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 119.103 0.865 . . . . 74.3 110.679 176.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.99 -57.26 4.45 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 119.51 1.05 . . . . 74.51 108.276 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -67.22 -23.02 65.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.033 0.445 . . . . 73.43 111.08 -174.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.632 HD23 ' CD2' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -72.21 -31.34 65.77 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.444 1.098 . . . . 74.14 112.155 171.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -80.75 -27.55 36.78 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.795 -0.817 . . . . 73.54 108.795 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -59.59 -38.11 80.34 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.262 0.483 . . . . 73.5 109.943 168.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.82 -28.79 55.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 120.642 -1.286 . . . . 64.0 111.933 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -60.68 -38.63 85.56 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.001 0.92 . . . . 74.32 111.943 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -86.58 -7.73 58.11 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 118.888 -0.577 . . . . 73.44 112.245 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -96.28 -85.41 0.34 Allowed 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.114 0.87 . . . . 44.4 110.399 -171.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -85.09 145.04 27.85 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.191 -1.04 . . . . 74.11 108.191 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -40.13 91.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.758 -0.639 . . . . 34.04 110.648 167.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -144.96 152.42 40.15 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 125.447 1.499 . . . . 75.31 109.174 177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.2 mt -81.48 171.05 15.17 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.967 -0.753 . . . . 64.41 108.967 168.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.4 m -114.02 178.47 4.27 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.616 1.566 . . . . 72.11 109.176 159.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.98 -41.67 99.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.489 0.716 . . . . 60.14 110.562 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.9 m -60.73 -54.51 44.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.471 -0.566 . . . . 72.45 109.471 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.62 -44.28 62.84 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.762 1.225 . . . . 54.44 110.862 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.14 -41.9 93.7 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 117.754 -1.117 . . . . 75.01 112.317 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -58.78 -37.83 77.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.909 0.777 . . . . 72.42 109.49 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -58.52 -64.08 1.05 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.94 -0.552 . . . . 72.22 109.804 172.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.6 mm -62.18 -22.2 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 71.43 112.128 -169.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 -52.21 7.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.14 0.976 . . . . 60.0 109.896 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.15 -42.98 91.98 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.479 -0.563 . . . . 74.42 109.479 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.03 -20.47 58.06 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.4 1.88 . . . . 74.14 113.301 -174.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 97.2 mt -125.89 15.21 8.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.872 1.669 . . . . 63.34 110.396 -174.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt 68.42 6.45 5.38 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.452 1.501 . . . . 73.52 114.775 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -90.67 169.95 10.56 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 126.014 1.726 . . . . 61.1 110.562 -170.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -87.95 149.97 23.74 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.294 -0.632 . . . . 75.44 109.294 161.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -54.7 -39.29 68.03 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 122.989 0.516 . . . . 61.24 111.333 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.92 -31.98 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 122.975 0.51 . . . . 71.4 111.013 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -65.84 -49.41 68.28 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 120.82 -1.175 . . . . 72.32 109.746 171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.52 -44.26 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 123.973 0.909 . . . . 63.0 110.555 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -58.66 -25.71 63.05 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.528 0.731 . . . . 74.23 111.968 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.1 mt -84.77 -34.48 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.538 1.135 . . . . 74.34 110.975 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.632 ' CD2' HD23 ' A' ' 22' ' ' LEU . 17.2 t90 -65.62 -52.06 54.83 Favored 'General case' 0 N--CA 1.46 0.054 0 CA-C-N 120.229 1.377 . . . . 73.4 109.947 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -50.5 -53.79 27.25 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.875 0.87 . . . . 74.12 110.758 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -57.65 -42.22 83.05 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.66 0.615 . . . . 73.34 112.66 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.67 -37.03 86.2 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.115 0.566 . . . . 72.32 109.683 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -74.77 -52.55 11.2 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.716 0.806 . . . . 74.22 109.451 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -48.14 -44.22 32.0 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.757 0.823 . . . . 75.11 109.803 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.09 -48.29 58.3 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 119.174 -0.441 . . . . 72.3 111.104 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -64.64 -39.69 94.14 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.74 1.154 . . . . 75.0 109.474 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -39.6 93.99 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 120.007 1.276 . . . . 75.13 109.38 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -68.99 -1.22 6.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.988 -1.006 . . . . 75.4 113.567 171.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -78.66 -25.64 44.93 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 121.71 2.05 . . . . 63.0 109.386 165.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.7 mt -87.66 -83.76 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 126.703 2.001 . . . . 75.34 106.742 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 44.47 36.16 1.58 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.99 1.716 . . . . 73.21 111.845 -172.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.87 -13.24 61.24 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.4 -0.813 . . . . 60.42 113.119 -173.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.32 -52.92 0.68 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.676 -2.17 . . . . 75.23 107.676 -156.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.45 49.74 16.18 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.594 1.958 . . . . 75.14 109.841 -172.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.97 19.97 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.348 2.659 . . . . 73.43 109.216 170.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.1 m . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.466 -1.309 . . . . 73.11 107.466 157.291 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.944 0 N-CA-C 111.024 -0.831 . . . . 53.51 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 44.05 57.55 13.39 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.078 1.751 . . . . 71.03 115.483 163.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -64.21 164.59 22.17 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 122.931 2.421 . . . . 70.44 111.31 -176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.8 -95.82 0.12 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.748 -1.341 . . . . 53.14 109.748 -177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.36 -58.06 4.07 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.76 1.172 . . . . 72.31 111.789 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -51.91 119.6 4.46 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 127.56 2.344 . . . . 64.42 111.546 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.1 m -151.94 143.54 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.819 1.648 . . . . 70.22 109.406 160.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -151.48 115.73 5.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.679 1.992 . . . . 73.44 106.891 168.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -163.61 160.81 23.34 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.601 1.56 . . . . 65.22 108.693 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -79.66 112.16 16.66 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 118.709 0.686 . . . . 60.34 109.656 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -121.43 162.08 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.645 1.178 . . . . 73.33 108.201 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.7 m -69.81 149.57 47.79 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.24 -1.022 . . . . 53.22 108.24 174.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.42 97.57 0.07 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.025 1.33 . . . . 54.44 109.77 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 22' ' ' LEU . 4.4 m-85 -112.73 136.16 52.64 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 126.535 1.934 . . . . 62.41 105.879 164.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -77.36 172.06 13.9 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.629 0.65 . . . . 44.44 110.212 170.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -62.12 -33.52 74.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 O-C-N 121.082 -1.011 . . . . 70.12 111.586 178.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -39.62 80.97 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.666 0.746 . . . . 64.33 110.698 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.697 ' HA ' HD22 ' A' ' 44' ' ' LEU . 45.2 mt-30 -78.15 -33.52 50.3 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.423 1.089 . . . . 65.35 109.135 -174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -75.93 -10.68 59.62 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.785 0.834 . . . . 72.33 112.973 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.54 -56.26 5.03 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.193 -1.04 . . . . 74.13 108.193 -174.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' HG3' HD21 ' A' ' 44' ' ' LEU . 19.6 mm-40 -59.03 -47.1 86.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.142 1.777 . . . . 74.43 109.528 -174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 54' ' ' TRP . 3.8 mp -55.06 -39.6 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.575 1.55 . . . . 73.01 112.776 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -72.93 -40.97 65.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.732 -1.21 . . . . 73.05 107.732 -173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.03 -36.14 77.41 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 118.992 -1.083 . . . . 62.35 109.776 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.18 -28.63 68.26 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 123.794 0.838 . . . . 72.43 112.481 -175.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -56.36 -24.08 41.8 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.689 1.195 . . . . 62.04 112.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -116.85 27.14 9.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.762 1.225 . . . . 70.03 111.088 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.7 m -113.44 -85.79 0.58 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.262 -0.899 . . . . 65.43 109.623 174.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 136.91 35.58 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 121.151 -0.968 . . . . 70.24 108.51 174.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.76 -34.31 76.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 118.849 -0.596 . . . . 72.34 111.505 174.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -146.9 155.31 42.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.96 -1.126 . . . . 62.35 107.96 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.7 118.34 17.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 106.841 -1.54 . . . . 71.21 106.841 168.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -70.24 -172.39 0.56 Allowed 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.964 0.802 . . . . 74.12 109.544 158.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mp -64.35 -49.61 70.98 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 120.108 -1.62 . . . . 71.45 111.466 -175.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m -59.23 -48.84 80.11 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.773 -0.825 . . . . 61.44 108.773 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -47.24 76.37 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 126.798 2.039 . . . . 71.44 109.415 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -65.88 -37.85 87.24 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.422 -0.799 . . . . 74.31 111.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 t -61.44 -47.4 85.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.863 0.756 . . . . 71.13 109.247 172.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -58.35 -61.97 2.19 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 123.794 0.838 . . . . 70.45 110.174 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -65.69 -17.77 22.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.001 0.429 . . . . 63.45 111.153 -171.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.19 -55.64 4.61 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 121.566 -0.709 . . . . 72.03 109.252 175.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -63.47 -34.78 78.52 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 122.203 -0.311 . . . . 72.03 110.944 -177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.6 -11.88 39.59 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.147 0.979 . . . . 71.24 112.929 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.697 HD22 ' HA ' ' A' ' 18' ' ' GLN . 85.1 mt -126.98 6.31 6.57 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 126.126 1.77 . . . . 74.44 111.519 -175.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 52.61 28.73 6.41 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.775 1.171 . . . . 52.53 112.767 -173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.4 mt -102.94 166.51 10.41 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 125.42 1.488 . . . . 74.25 108.537 174.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.03 158.36 20.48 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.025 172.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.44 -43.09 64.69 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.805 0.842 . . . . 74.04 110.62 175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.14 -36.63 76.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 119.161 -0.447 . . . . 62.11 111.05 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.32 -50.04 75.5 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 119.528 1.058 . . . . 73.21 109.863 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.13 -32.3 57.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 122.819 0.447 . . . . 72.32 109.968 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.12 -45.3 87.53 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 120.775 -1.203 . . . . 72.01 110.16 171.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.77 -40.53 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.704 1.202 . . . . 74.22 111.33 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' CD2' HD23 ' A' ' 22' ' ' LEU . 39.7 t90 -63.84 -48.37 77.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.481 1.037 . . . . 73.04 110.246 -177.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -62.45 -44.63 95.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 118.279 -0.867 . . . . 74.34 111.047 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.32 -44.84 92.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.533 1.061 . . . . 72.32 110.066 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -63.79 -36.62 84.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.568 0.747 . . . . 73.41 109.072 -174.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -73.44 -54.74 7.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.218 1.007 . . . . 74.44 109.267 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -52.69 -41.91 64.31 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.275 1.43 . . . . 72.03 109.967 -179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.55 34.77 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.618 0.767 . . . . 70.43 111.374 177.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -61.91 -40.18 94.55 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.994 0.816 . . . . 74.31 110.108 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -64.19 -37.39 87.31 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.956 1.302 . . . . 74.3 109.29 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -58.11 -25.49 61.43 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 117.242 -1.361 . . . . 73.02 113.561 172.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -69.17 -12.6 61.81 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 121.283 1.856 . . . . 61.22 112.786 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.29 -42.28 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 O-C-N 120.914 -1.116 . . . . 74.03 109.413 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.75 -4.4 2.05 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.83 1.048 . . . . 74.02 113.83 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 75.2 -4.5 2.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.049 2.14 . . . . 62.4 115.082 156.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 55.19 4.68 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.754 -1.738 . . . . 74.01 108.754 -166.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.33 86.44 0.17 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 126.457 1.903 . . . . 74.11 108.297 174.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.1 t 52.83 31.84 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 125.968 1.707 . . . . 72.44 111.702 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.249 1.055 0 C-N-CA 127.909 2.484 . . . . 64.03 111.681 170.899 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.74 0 N-CA-C 111.805 -0.518 . . . . 51.11 111.805 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.87 85.4 0.18 Allowed Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 129.188 2.995 . . . . 73.53 114.438 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -61.29 -54.47 1.74 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.721 2.281 . . . . 74.45 111.143 172.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.02 11.71 71.41 Favored Glycine 0 CA--C 1.523 0.536 0 O-C-N 121.009 -1.057 . . . . 72.55 112.371 -171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.95 127.04 24.47 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-N 118.976 1.388 . . . . 72.12 110.244 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 tpmt? -153.72 53.29 0.71 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.928 0.891 . . . . 64.22 109.646 164.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t 62.21 93.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.769 1.227 . . . . 70.22 113.203 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -140.37 128.7 22.55 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.739 0.816 . . . . 74.31 108.883 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -131.6 173.55 11.01 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.073 0.949 . . . . 72.23 109.949 -177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -150.39 45.04 0.88 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.633 1.106 . . . . 75.05 113.937 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -147.62 65.12 1.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.003 -1.061 . . . . 73.14 111.755 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.53 173.2 5.23 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.09 0.859 . . . . 43.14 110.718 172.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.54 37.24 0.34 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.696 1.599 . . . . 64.02 114.216 -171.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.463 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.7 m-30 -83.02 131.17 35.19 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 104.761 -2.311 . . . . 74.43 104.761 173.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 p -84.33 161.61 20.36 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.371 -1.344 . . . . 72.44 107.371 170.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -51.95 -36.97 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.32 0.859 . . . . 71.4 113.32 -172.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.18 -16.03 63.64 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.912 2.885 . . . . 71.2 113.18 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.47 -18.67 14.7 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 126.663 1.985 . . . . 73.12 112.521 171.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.39 -22.82 35.25 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.984 1.265 . . . . 75.44 112.018 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.37 -59.89 2.51 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 120.34 1.427 . . . . 73.22 110.322 -166.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.27 -41.42 68.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.595 2.758 . . . . 71.24 108.888 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.6 mp -54.42 -39.68 67.55 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.759 2.023 . . . . 70.44 112.605 173.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -86.74 -23.23 25.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.322 -0.847 . . . . 61.3 109.373 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -59.15 -54.77 43.24 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 107.941 -1.133 . . . . 74.0 107.941 171.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.05 -38.32 73.05 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.476 1.91 . . . . 72.31 111.528 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -61.09 -34.57 75.15 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.803 0.841 . . . . 72.11 112.002 -177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -90.11 15.15 10.72 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.927 0.891 . . . . 65.44 111.269 -171.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -148.8 -56.59 0.21 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 120.729 -1.232 . . . . 74.43 113.091 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -79.46 179.28 7.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 107.189 -1.411 . . . . 73.22 107.189 163.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 -22.55 2.76 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.014 1.325 . . . . 71.01 111.382 172.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -150.05 142.74 24.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.452 -0.573 . . . . 73.42 109.452 175.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.27 127.87 34.01 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.195 1.398 . . . . 44.23 108.064 175.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -73.55 -175.96 2.17 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 122.124 -0.36 . . . . 71.14 110.773 165.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.2 -56.47 21.66 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.421 1.488 . . . . 73.43 110.908 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.7 m -67.8 -39.81 83.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.104 0.562 . . . . 73.22 110.146 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.42 -51.94 66.5 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 123.564 0.746 . . . . 74.01 110.235 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -47.57 -44.26 26.07 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.981 0.912 . . . . 73.42 111.214 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -67.42 -42.44 83.22 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 117.833 -1.08 . . . . 65.42 110.943 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -60.99 -59.84 4.73 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.24 1.416 . . . . 61.23 110.578 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mm -58.93 -27.85 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.417 0.687 . . . . 70.23 110.459 -174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -53.34 6.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.68 1.192 . . . . 63.34 109.371 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -56.03 -41.96 75.77 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.877 1.271 . . . . 71.12 110.559 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.56 -44.2 85.07 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.735 0.779 . . . . 74.31 109.782 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.1 mt -94.01 8.98 39.43 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.765 1.626 . . . . 74.01 110.201 -175.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 tttt 55.41 11.59 0.61 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 131.096 3.758 . . . . 73.44 116.146 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 19.8 mt -81.56 166.97 19.77 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.947 2.099 . . . . 74.23 110.316 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.2 m -74.23 156.08 37.62 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.279 0.632 . . . . 74.04 110.622 169.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -59.26 -39.4 82.76 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.316 -0.865 . . . . 72.11 110.344 172.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.05 -36.97 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.294 0.638 . . . . 70.54 110.76 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -61.95 -47.25 85.74 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.807 -1.183 . . . . 71.34 109.438 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.2 -45.65 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.357 0.663 . . . . 61.44 110.206 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -57.82 -32.23 67.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 119.182 0.901 . . . . 71.32 111.499 -177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 54.7 mt -76.35 -37.11 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 118.688 -0.673 . . . . 74.43 109.488 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' HD23 ' A' ' 22' ' ' LEU . 8.1 t90 -68.32 -52.62 31.45 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 119.644 1.111 . . . . 64.21 109.434 178.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -54.55 -44.0 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.218 0.607 . . . . 71.13 111.775 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.04 -31.74 72.48 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.3 -0.875 . . . . 70.22 112.635 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -77.27 -25.92 51.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 123.205 0.602 . . . . 64.12 110.027 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.99 -48.57 12.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.942 1.697 . . . . 71.34 109.934 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -55.93 -41.02 73.99 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.508 -0.745 . . . . 74.22 109.86 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.78 -56.04 21.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.027 1.331 . . . . 71.11 112.191 173.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -30.9 65.65 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 118.949 0.795 . . . . 72.32 110.991 -174.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -83.91 -47.27 11.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 O-C-N 123.646 0.592 . . . . 70.11 109.927 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -56.35 -33.08 65.32 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.107 1.321 . . . . 72.44 112.121 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -66.1 -23.16 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 119.546 1.067 . . . . 72.51 112.908 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -69.28 -26.96 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 124.407 1.083 . . . . 71.43 110.556 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.39 87.72 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 127.039 2.135 . . . . 70.42 109.759 -178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.07 65.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 126.77 2.028 . . . . 62.34 111.807 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.95 -150.35 51.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 109.102 -1.599 . . . . 74.1 109.102 -168.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -155.25 44.17 0.47 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 122.363 1.077 . . . . 72.24 108.138 170.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.83 -10.48 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 123.786 0.835 . . . . 73.53 110.242 168.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 C--O 1.245 0.831 0 N-CA-C 107.02 -1.474 . . . . 74.21 107.02 165.194 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 110.487 -1.045 . . . . 41.34 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 165.39 35.66 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.945 2.098 . . . . 52.42 107.514 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -68.91 -176.76 1.35 Allowed 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.709 2.273 . . . . 71.05 112.728 -177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.11 -33.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.375 0.988 . . . . 40.3 112.821 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.59 -67.54 2.48 Favored Glycine 0 CA--C 1.523 0.535 0 O-C-N 121.01 -1.288 . . . . 44.2 111.183 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.44 145.39 49.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.347 1.573 . . . . 74.11 108.309 165.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 m -140.12 -84.13 0.23 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.408 1.083 . . . . 71.34 108.822 167.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -132.91 41.07 3.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 120.377 1.444 . . . . 75.21 114.084 -162.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -74.32 -72.14 0.3 Allowed 'General case' 0 N--CA 1.463 0.194 0 O-C-N 120.999 -1.063 . . . . 73.42 110.325 174.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -158.58 -174.19 4.66 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 119.06 0.845 . . . . 74.43 110.166 -172.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 167.54 0.23 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.125 0.97 . . . . 64.55 110.601 166.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -126.74 171.59 11.06 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.528 1.131 . . . . 73.52 108.29 172.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 102.34 0.27 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.814 0.846 . . . . 63.5 109.444 171.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' CE2' HD21 ' A' ' 22' ' ' LEU . 7.7 m-85 -115.11 152.27 32.85 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.652 3.581 . . . . 71.32 104.833 160.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -101.68 160.06 14.78 Favored 'General case' 0 CA--C 1.513 -0.452 0 O-C-N 120.901 -1.124 . . . . 61.44 108.435 173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.6 p -57.52 -31.22 65.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 113.146 0.795 . . . . 63.12 113.146 -166.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -54.98 -52.47 62.99 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.438 1.495 . . . . 74.31 110.876 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.31 -38.75 85.48 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 124.448 1.099 . . . . 75.44 109.017 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -65.69 -20.29 66.23 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 118.768 0.713 . . . . 71.44 110.469 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -51.24 9.54 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 119.438 1.017 . . . . 75.45 109.832 -174.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.19 -32.76 74.23 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.517 0.675 . . . . 72.23 110.327 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 54' ' ' TRP . 1.0 OUTLIER -64.68 -36.35 83.99 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.923 0.889 . . . . 75.24 111.159 175.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -78.98 -24.27 43.93 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 117.952 -1.023 . . . . 72.14 108.56 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -60.76 -42.99 98.55 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 119.624 1.102 . . . . 73.44 110.237 170.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' OE1' ' HE3' ' A' ' 29' ' ' LYS . 4.6 mm-40 -71.52 -6.36 40.05 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.35 1.46 . . . . 51.31 113.454 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -85.66 -20.22 29.74 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.632 -1.292 . . . . 71.45 111.71 -176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -63.82 -50.81 67.43 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.128 0.876 . . . . 72.32 111.918 -174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.76 79.06 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.611 -1.306 . . . . 64.51 109.272 -174.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 1.3 ttmm -157.31 119.88 3.91 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.939 0.399 . . . . 53.01 111.352 172.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' HD3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -63.25 -44.19 95.87 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.089 0.556 . . . . 74.15 112.193 176.325 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -168.4 159.94 10.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.677 2.391 . . . . 72.45 107.168 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mp -90.49 144.21 26.0 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.298 0.499 . . . . 72.33 110.536 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.68 178.24 8.29 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.57 1.548 . . . . 71.32 110.05 172.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.33 -36.84 85.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 117.695 -1.145 . . . . 72.25 111.607 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.7 m -65.3 -55.14 19.97 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.499 -0.926 . . . . 73.23 108.499 170.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.4 -51.14 69.45 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.249 0.547 . . . . 74.34 110.481 -166.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -63.13 -29.91 71.17 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-O 118.59 -0.719 . . . . 75.23 111.867 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -44.64 82.21 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.597 0.759 . . . . 60.13 109.904 172.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -60.95 -48.93 79.57 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.026 0.83 . . . . 75.33 111.061 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -65.84 -29.15 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 121.601 0.715 . . . . 73.32 110.437 -179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.1 -49.69 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 124.333 1.053 . . . . 62.15 109.294 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -61.67 -38.31 87.27 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 123.77 0.828 . . . . 74.31 110.721 174.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.27 61.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 122.627 0.371 . . . . 72.33 111.676 -177.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.0 mt -129.64 12.1 5.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.687 1.595 . . . . 60.45 111.379 -169.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 59.23 18.9 6.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.832 1.253 . . . . 64.13 113.949 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 14' ' ' PHE . 4.6 mt -100.03 161.6 13.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 125.018 1.327 . . . . 71.35 110.323 -174.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -77.75 148.33 34.91 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.39 -0.967 . . . . 71.43 108.39 172.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.65 -36.85 79.7 Favored 'General case' 0 N--CA 1.445 -0.708 0 O-C-N 120.591 -1.318 . . . . 74.22 112.305 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' HE2' ' A' ' 52' ' ' LYS . 71.2 t -62.55 -39.02 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.435 0.694 . . . . 74.05 110.342 175.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -59.29 -47.19 86.31 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.187 -0.946 . . . . 73.44 108.601 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.0 t -59.36 -49.39 83.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.573 0.749 . . . . 75.24 110.09 177.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' HG13 ' A' ' 49' ' ' VAL . 22.4 pttt -63.17 -28.14 69.85 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.464 1.029 . . . . 72.13 111.599 -176.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -76.53 -35.04 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 123.715 0.806 . . . . 55.32 109.99 175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.699 ' CD2' HD23 ' A' ' 22' ' ' LEU . 14.4 t90 -66.56 -51.99 50.43 Favored 'General case' 0 CA--C 1.523 -0.071 0 CA-C-N 119.702 1.137 . . . . 73.14 110.137 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -53.7 -50.44 65.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.471 0.708 . . . . 73.35 110.094 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -56.61 -37.77 71.13 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.199 0.909 . . . . 74.52 113.432 177.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -70.32 -37.48 74.74 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.132 -0.692 . . . . 75.14 109.132 -172.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -77.54 -42.46 35.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.616 -0.883 . . . . 74.14 108.616 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -60.44 -25.23 65.83 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.488 -0.758 . . . . 73.21 112.073 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.96 -47.12 13.09 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.328 0.513 . . . . 62.41 110.426 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -62.43 -23.75 67.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 118.815 -0.612 . . . . 72.31 112.51 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -80.27 -53.76 6.35 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 122.776 0.43 . . . . 62.31 110.52 167.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -24.89 63.87 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 119.879 -1.763 . . . . 74.55 113.597 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.259 13.7 ptt180 -60.35 -26.72 66.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 120.227 1.376 . . . . 71.22 113.887 174.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 15.2 mt -73.75 -2.02 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 128.023 2.529 . . . . 73.11 111.661 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.6 53.57 0.06 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 119.958 -1.714 . . . . 72.53 112.925 168.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.68 -57.04 13.63 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 126.65 1.98 . . . . 51.03 111.465 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.01 67.28 0.34 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.519 2.485 . . . . 73.41 110.512 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -168.33 28.46 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 128.222 2.609 . . . . 61.25 107.753 -173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.84 -17.2 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.286 -0.884 . . . . 73.44 110.143 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 C--O 1.253 1.262 0 N-CA-C 105.983 -1.858 . . . . 72.13 105.983 -122.755 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 111.338 -0.705 . . . . 72.4 111.338 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.51 157.8 34.16 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.246 1.018 . . . . 74.54 110.303 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -60.34 112.22 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.16 1.907 . . . . 60.14 108.685 170.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.96 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 107.412 -2.275 . . . . 54.41 107.412 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.08 154.19 50.54 Favored Glycine 0 CA--C 1.524 0.604 0 CA-C-O 121.372 0.429 . . . . 74.5 112.15 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 179.74 4.11 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.847 1.659 . . . . 75.24 108.395 176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.9 t -94.7 -50.43 5.17 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.465 -0.772 . . . . 72.23 109.021 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 54.55 18.03 1.85 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.203 1.401 . . . . 63.5 113.615 -172.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttm-85 -112.94 -26.87 8.31 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.861 1.43 . . . . 62.52 114.861 -172.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -134.23 77.92 1.73 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 121.105 1.775 . . . . 73.43 111.89 -172.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 179.61 147.03 0.22 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.653 1.981 . . . . 74.3 108.758 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -78.59 -166.87 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.536 1.135 . . . . 74.2 110.166 173.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 34.45 0.18 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.64 1.976 . . . . 51.44 114.622 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HE2' HD21 ' A' ' 22' ' ' LEU . 4.2 m-30 -75.98 120.61 21.54 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.021 -1.474 . . . . 75.43 107.021 175.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.8 p -70.71 170.81 11.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.697 0.799 . . . . 74.32 110.257 171.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.7 p -53.24 -37.54 62.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 114.125 1.157 . . . . 75.34 114.125 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.95 -52.98 60.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.381 1.472 . . . . 74.32 108.504 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.689 ' HA ' HD13 ' A' ' 44' ' ' LEU . 19.6 mt-30 -63.89 -28.71 70.02 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 114.812 -1.085 . . . . 73.31 110.099 178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.8 mt -82.76 -14.1 55.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.487 -0.768 . . . . 61.13 112.329 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -56.88 4.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 119.917 1.235 . . . . 62.34 108.329 -173.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 44' ' ' LEU . 16.9 mm-40 -65.37 -37.2 86.31 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.263 1.425 . . . . 74.53 109.546 -173.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 54' ' ' TRP . 5.3 mp -63.57 -38.97 93.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.052 1.341 . . . . 55.31 111.041 174.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -82.9 -4.33 58.03 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.854 -1.154 . . . . 75.53 110.647 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -67.58 0.78 Allowed 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 125.466 1.506 . . . . 74.51 108.16 164.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.44 -41.95 66.62 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.074 1.35 . . . . 74.35 111.548 -170.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -64.13 -26.35 68.5 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.145 -0.972 . . . . 75.35 112.925 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -89.48 -7.93 53.97 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 117.771 -1.109 . . . . 62.35 111.951 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.7 p -114.93 -8.41 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.84 1.2 . . . . 72.41 113.523 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -117.12 164.71 14.35 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.659 1.583 . . . . 75.32 109.922 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 -47.74 8.53 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.252 0.621 . . . . 64.41 109.782 158.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -151.29 173.26 14.68 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.77 1.628 . . . . 72.34 108.15 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.62 167.01 13.94 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 123.943 0.897 . . . . 71.41 109.69 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' H ' ' CG ' ' A' ' 36' ' ' GLU . 1.4 m -123.46 174.4 7.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.974 2.11 . . . . 75.42 108.442 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -56.04 -46.33 78.93 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 119.246 0.93 . . . . 75.01 110.567 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.4 m -63.86 -27.38 69.13 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.743 0.645 . . . . 72.34 112.743 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' CG ' ' H ' ' A' ' 33' ' ' SER . 5.2 mm-40 -71.82 -55.85 6.81 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.942 -1.133 . . . . 64.52 107.942 174.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -57.86 -36.35 72.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.137 0.575 . . . . 75.35 111.786 -178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -47.77 -38.88 16.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 125.171 1.388 . . . . 74.53 111.686 176.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -78.89 -63.88 1.31 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.708 1.203 . . . . 75.22 108.653 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 mp -66.81 -20.71 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.772 0.829 . . . . 75.35 112.168 -169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.35 -41.01 41.99 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 123.979 0.912 . . . . 63.54 109.277 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -63.79 -46.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.224 -0.658 . . . . 63.54 109.224 172.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -26.52 67.85 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 124.181 0.925 . . . . 73.41 111.081 -163.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 18' ' ' GLN . 94.7 mt -111.34 12.48 21.61 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 125.514 1.526 . . . . 71.2 110.972 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? 57.28 27.73 14.12 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 127.057 2.143 . . . . 75.53 113.393 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.76 -179.47 6.0 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 125.443 1.497 . . . . 61.44 110.274 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.4 m -95.99 151.06 19.79 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 106.976 -1.49 . . . . 55.1 106.976 159.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.77 -34.88 29.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.059 1.344 . . . . 73.04 111.791 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.55 -51.24 75.14 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 126.018 1.727 . . . . 71.43 111.107 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -57.37 -41.3 79.92 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 119.337 0.972 . . . . 75.4 109.998 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.34 -50.78 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.066 0.946 . . . . 74.43 109.948 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -60.71 -28.32 68.56 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 121.824 -0.547 . . . . 64.34 110.994 -175.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 35.2 mt -76.33 -31.54 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 118.205 -0.902 . . . . 72.31 110.404 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 22' ' ' LEU . 2.3 t90 -66.93 -56.76 8.81 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 120.91 1.686 . . . . 75.44 109.684 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.32 -27.54 69.4 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.882 0.697 . . . . 54.34 112.882 -171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.85 -33.97 60.03 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 120.419 -1.426 . . . . 71.35 112.335 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -76.38 -30.61 57.59 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.953 0.901 . . . . 74.04 108.853 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -80.8 -38.84 27.72 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 117.634 -1.174 . . . . 75.23 108.946 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -55.3 -41.26 72.1 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.935 1.243 . . . . 75.54 108.202 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -52.34 43.44 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.689 0.796 . . . . 53.31 111.053 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -65.29 -28.58 69.42 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.228 1.011 . . . . 75.11 111.273 -175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -79.34 -40.86 29.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.995 0.918 . . . . 75.35 110.283 173.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.42 -20.45 30.18 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 117.614 -1.184 . . . . 75.44 112.89 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -77.45 -22.23 51.72 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.007 1.73 . . . . 71.15 112.931 171.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.03 -1.34 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 125.325 1.45 . . . . 74.14 110.926 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -51.01 -15.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.177 -1.577 . . . . 75.14 114.136 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.04 -11.82 16.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 115.439 1.644 . . . . 72.42 115.439 175.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.82 34.98 2.92 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-O 118.924 -0.931 . . . . 64.51 111.838 -174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.78 13.66 1.17 Allowed 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 118.625 1.213 . . . . 73.35 112.783 -169.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.2 13.08 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 C-N-CA 125.31 1.444 . . . . 72.11 110.459 169.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.246 0.9 0 C-N-CA 126.114 1.766 . . . . 75.24 108.166 169.334 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.867 -0.893 . . . . 61.34 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.08 75.76 0.52 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.268 1.827 . . . . 63.54 111.026 -161.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -72.64 75.87 2.48 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.68 2.92 . . . . 73.41 109.441 173.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 107.77 0.23 Allowed Glycine 0 N--CA 1.451 -0.35 0 N-CA-C 109.874 -1.291 . . . . 53.34 109.874 -170.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.36 54.76 0.12 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 125.365 1.46 . . . . 72.23 109.739 175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 112.8 22.39 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 117.821 0.81 . . . . 72.54 109.137 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.81 131.44 33.31 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.055 0.843 . . . . 75.22 109.91 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -144.57 51.81 1.26 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.059 -1.026 . . . . 74.3 110.36 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -144.92 -175.33 4.64 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.106 0.962 . . . . 75.15 108.409 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 62.31 35.66 15.05 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.24 1.416 . . . . 73.12 112.736 176.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -113.42 -175.97 2.79 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.518 1.527 . . . . 64.21 109.563 -173.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.25 175.42 5.45 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.933 1.293 . . . . 74.45 107.664 168.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.71 71.42 7.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.236 1.014 . . . . 53.51 111.435 -177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -92.33 114.33 26.85 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 107.254 -1.388 . . . . 62.35 107.254 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.2 p -65.67 165.52 12.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.583 0.753 . . . . 63.12 109.782 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -66.36 -15.14 63.04 Favored 'General case' 0 C--N 1.333 -0.131 0 O-C-N 121.148 -0.97 . . . . 75.32 112.997 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -68.85 -44.97 72.28 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.937 0.875 . . . . 74.43 110.128 170.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HA ' HD22 ' A' ' 44' ' ' LEU . 40.9 mt-30 -70.96 -36.74 72.68 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.341 1.057 . . . . 62.22 108.598 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.78 -19.15 65.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.841 -0.6 . . . . 74.34 112.585 174.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.57 -52.94 15.52 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 119.219 0.918 . . . . 73.14 108.579 -172.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -75.43 -27.02 58.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.173 1.389 . . . . 71.34 110.908 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 54' ' ' TRP . 2.8 mp -62.46 -37.78 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.232 -0.917 . . . . 74.41 111.052 170.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -80.93 -28.98 35.6 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 118.093 -0.956 . . . . 73.32 110.285 -171.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -69.99 -46.73 64.54 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.889 -0.782 . . . . 74.31 108.889 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -71.49 -32.73 68.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.301 1.04 . . . . 73.03 111.452 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -49.9 -43.92 49.74 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.026 0.531 . . . . 55.2 111.504 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 -23.78 50.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.309 1.844 . . . . 63.0 110.512 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -78.65 -48.91 14.12 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.341 1.456 . . . . 72.1 111.145 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -132.67 120.93 22.38 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 118.983 0.81 . . . . 75.34 109.524 175.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' H ' ' HD3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -50.46 -26.1 4.71 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.527 1.131 . . . . 75.2 113.798 167.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -145.43 114.7 7.09 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 107.401 -1.333 . . . . 75.11 107.401 174.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mp -73.31 129.34 37.82 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.349 -0.982 . . . . 74.2 108.349 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 2.1 m -66.21 175.24 2.21 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.801 1.64 . . . . 60.31 110.112 168.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -53.86 -57.8 9.59 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 125.876 1.67 . . . . 75.24 110.118 -172.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -68.09 -40.37 82.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.28 -0.867 . . . . 62.04 109.813 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 33' ' ' SER . 4.9 mm-40 -53.71 -60.45 3.3 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 107.753 -1.203 . . . . 64.1 107.753 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -64.84 -35.11 80.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.436 0.902 . . . . 72.25 113.436 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 t -50.88 -41.07 57.96 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.806 1.242 . . . . 72.11 111.046 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -63.7 -54.53 34.08 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 107.042 -1.466 . . . . 63.21 107.042 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -65.79 -9.82 9.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.572 1.949 . . . . 73.31 112.511 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.47 -59.46 2.74 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 119.954 -1.716 . . . . 53.31 108.488 165.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -57.44 -42.96 83.44 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.341 1.056 . . . . 71.43 111.251 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.96 -8.45 53.23 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.933 1.693 . . . . 73.41 112.952 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 18' ' ' GLN . 91.8 mt -126.18 15.24 7.84 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.985 1.314 . . . . 71.45 110.836 178.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.9 tttm 59.94 19.01 8.04 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.469 1.031 . . . . 75.11 113.573 176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.2 mt -104.54 165.32 11.14 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.728 1.611 . . . . 61.11 109.725 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.64 158.56 20.82 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.109 0.48 . . . . 60.33 110.124 172.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -58.87 -43.66 90.9 Favored 'General case' 0 CA--C 1.522 -0.111 0 O-C-N 121.647 -0.658 . . . . 75.25 110.987 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG13 ' HE2' ' A' ' 52' ' ' LYS . 93.3 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 109.581 -0.525 . . . . 73.23 109.581 -178.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -59.6 -49.87 76.07 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.065 0.848 . . . . 73.15 109.168 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.16 -46.01 95.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 O-C-N 121.493 -0.755 . . . . 64.12 110.844 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HE2' HG13 ' A' ' 49' ' ' VAL . 17.1 pttt -61.04 -31.06 70.71 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.967 0.803 . . . . 71.04 109.998 -177.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.6 mt -79.13 -36.31 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 117.624 -1.179 . . . . 73.12 110.153 -179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CD2' HD23 ' A' ' 22' ' ' LEU . 50.8 t90 -63.4 -56.39 16.63 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 120.541 1.519 . . . . 74.34 109.845 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -55.69 -44.84 77.74 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.298 0.499 . . . . 75.04 111.07 -174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -63.22 -40.66 98.1 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.208 0.448 . . . . 71.43 112.208 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -65.89 -38.72 89.5 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 107.881 -1.155 . . . . 55.11 107.881 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.83 -40.06 66.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.605 -0.517 . . . . 75.42 109.605 -174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -43.63 67.8 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.636 0.653 . . . . 63.33 110.259 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.28 -38.05 63.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.536 -0.269 . . . . 64.54 111.147 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -61.77 -49.95 74.3 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 124.146 0.979 . . . . 74.12 110.239 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -67.45 -30.28 69.96 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 118.949 0.795 . . . . 74.14 109.984 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -65.24 -8.17 16.4 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.502 -1.374 . . . . 73.43 113.394 170.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -94.25 9.84 36.43 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 121.058 1.754 . . . . 75.43 111.196 170.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.51 -14.08 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 126.945 2.098 . . . . 75.54 110.76 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.73 77.17 0.2 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 120.909 -1.119 . . . . 62.41 109.309 172.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.62 91.33 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.466 0.706 . . . . 61.1 111.741 -171.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 -22.7 32.04 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 125.741 1.639 . . . . 75.52 112.348 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -152.33 146.02 25.04 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.931 -1.877 . . . . 70.41 105.931 -174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 38.4 t -68.55 81.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 105.923 -1.88 . . . . 74.51 105.923 154.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.242 0.708 0 N-CA-C 103.183 -2.895 . . . . 73.43 103.183 155.579 . . . . . . . . 0 0 . 1 stop_ save_