data_2kp6_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 2kp6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' HG ' HD13 ' A' ' 70' ' ' LEU . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.429 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.474 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 HD21 HD13 ' A' ' 73' ' ' LEU . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD12 HE21 ' A' ' 14' ' ' GLN . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.57 HE21 HD12 ' A' ' 11' ' ' LEU . 12.1 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.486 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.486 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.41 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 HD21 HD22 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 N--CA 1.507 2.379 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.568 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.529 ' HH2' HD13 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.515 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.49 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HE2' HD12 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.452 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.434 ' HB2' HD13 ' A' ' 7' ' ' LEU . 26.1 m170 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.991 0.425 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.603 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 HD23 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 HD22 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.988 0.423 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 67' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.418 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.418 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.595 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.595 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' HD21 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.507 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD21 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CZ ' HG22 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD11 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.747 0.308 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.586 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.586 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.449 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HE2' HD11 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 m170 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD12 HE21 ' A' ' 14' ' ' GLN . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.569 HE21 HD12 ' A' ' 11' ' ' LEU . 12.0 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.4 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 HD22 HD22 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HZ3' ' A' ' 45' ' ' TRP . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD11 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' HD1' ' HB2' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.402 ' HZ3' HD13 ' A' ' 17' ' ' LEU . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.463 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD11 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.9 pt20 . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' HD21 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 ' HG ' HD11 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' HD12 ' A' ' 24' ' ' ILE . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.431 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' HB3' HD23 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB2' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.595 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 52.6 mtt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.579 ' HA ' HD22 ' A' ' 73' ' ' LEU . 2.8 p30 -167.66 173.55 8.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.455 -164.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -70.92 -26.47 63.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.037 0.935 . . . . 0.0 111.925 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -78.07 -5.79 52.6 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.806 0.842 . . . . 0.0 111.527 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.596 ' HB2' HD13 ' A' ' 8' ' ' LEU . 97.5 m-20 -56.98 116.6 3.3 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 122.926 0.49 . . . . 0.0 109.852 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -67.98 -7.5 29.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.633 0.773 . . . . 0.0 111.689 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 5' ' ' ASN . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.595 ' HA2' ' HA ' ' A' ' 1' ' ' MET . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 2' ' ' ASP . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.99 50.01 0.91 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.48 -126.4 0.67 Allowed Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.65 -0.705 . . . . 0.0 113.126 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -104.2 -159.14 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.806 0.842 . . . . 0.0 110.04 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 123.239 0.616 . . . . 0.0 110.646 172.305 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 tpp . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' HB2' HD11 ' A' ' 73' ' ' LEU . 8.0 m-20 -90.87 -6.77 53.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.402 0.681 . . . . 0.0 112.499 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.568 ' HA ' HD23 ' A' ' 8' ' ' LEU . 73.6 p -64.11 137.04 57.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.729 0.411 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 t 77.46 -25.9 0.19 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.186 1.394 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 m120 -70.15 146.71 50.63 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.562 0.745 . . . . 0.0 109.862 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -64.9 -2.4 2.6 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 3' ' ' THR . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.429 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -120.75 26.61 9.0 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.37 95.49 0.12 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.981 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.42 104.22 3.06 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 123.991 0.916 . . . . 0.0 109.815 -179.68 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.692 0.282 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.78 -178.13 5.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.151 0.98 . . . . 0.0 109.007 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.49 ' HA ' HD23 ' A' ' 8' ' ' LEU . 2.3 m -86.65 -24.82 25.15 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 122.864 0.466 . . . . 0.0 111.969 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -77.82 -4.9 48.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.526 0.73 . . . . 0.0 111.858 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -62.89 129.19 39.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.289 0.636 . . . . 0.0 110.666 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.63 -13.26 40.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.296 1.038 . . . . 0.0 111.887 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 3' ' ' THR . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD12 HE21 ' A' ' 14' ' ' GLN . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.57 HE21 HD12 ' A' ' 11' ' ' LEU . 12.1 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.486 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.486 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.446 HD22 HD21 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.41 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 HD21 HD22 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.1 -6.65 58.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.46 90.17 0.23 Allowed Glycine 0 C--N 1.345 1.059 0 O-C-N 123.55 0.531 . . . . 0.0 111.87 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 0.83 29.34 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.13 0.972 . . . . 0.0 111.874 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.243 1.417 . . . . 0.0 109.607 -177.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.64 171.05 14.57 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.292 0.637 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -69.49 -62.92 1.19 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.552 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.3 p -76.31 83.72 3.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.251 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 34.0 t30 -129.26 153.34 47.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 170.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -45.01 -23.22 0.13 Allowed 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 125.464 1.506 . . . . 0.0 114.469 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD13 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.568 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.529 ' HH2' HD13 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -111.87 38.79 2.55 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -27.84 65.43 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.244 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -115.65 95.33 5.09 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 123.917 0.887 . . . . 0.0 109.34 179.382 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.59 -177.9 3.89 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.743 0.817 . . . . 0.0 110.665 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.47 ' HA ' HD23 ' A' ' 8' ' ' LEU . 4.0 m -79.23 -40.71 29.97 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.883 0.473 . . . . 0.0 111.391 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -73.52 97.73 2.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.5 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.553 HD22 HD11 ' A' ' 8' ' ' LEU . 6.6 p30 -175.53 -176.93 0.93 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.848 1.259 . . . . 0.0 109.396 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -103.17 -6.63 21.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.315 0.646 . . . . 0.0 111.766 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD11 HD22 ' A' ' 5' ' ' ASN . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG21 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.515 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -131.43 -177.99 4.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.9 155.75 19.66 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 167.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.56 146.75 41.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 117.55 0.675 . . . . 0.0 109.703 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.181 178.088 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.563 ' HB3' HD21 ' A' ' 73' ' ' LEU . 23.2 mmt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -119.22 148.69 42.84 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.509 1.123 . . . . 0.0 110.304 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 28' ' ' ILE . 32.4 p -63.04 105.75 0.74 Allowed 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.316 0.647 . . . . 0.0 110.749 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 8' ' ' LEU . 20.2 m -73.2 89.35 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.544 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -88.14 16.08 6.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.812 0.845 . . . . 0.0 112.518 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -104.24 -26.86 12.34 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.396 0.678 . . . . 0.0 109.918 163.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.654 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD12 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD11 HG22 ' A' ' 3' ' ' THR . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.49 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' HE2' HD12 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.452 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 1' ' ' MET . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -111.03 28.91 8.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.31 146.45 48.15 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.237 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.43 126.28 26.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.007 0.923 . . . . 0.0 111.32 -174.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.297 1.039 . . . . 0.0 108.958 -176.317 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.56 -179.04 7.0 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.337 1.055 . . . . 0.0 110.185 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.444 ' HA ' HD13 ' A' ' 73' ' ' LEU . 5.2 t -57.0 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 122.226 1.012 . . . . 0.0 111.75 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.3 m -72.62 100.42 2.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.471 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.29 5.67 2.73 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.397 0.679 . . . . 0.0 112.202 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.434 ' HB2' HD13 ' A' ' 7' ' ' LEU . 26.1 m170 -101.61 -45.42 5.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.323 0.649 . . . . 0.0 110.256 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.508 HD11 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.603 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.603 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 HD23 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD23 HD22 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -85.59 112.66 21.17 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.26 6.13 65.86 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.92 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.27 128.91 37.86 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.11 0.564 . . . . 0.0 109.849 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.189 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.564 -0.162 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.45 125.85 48.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.782 0.833 . . . . 0.0 110.731 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.549 HG22 HD11 ' A' ' 73' ' ' LEU . 59.6 p -81.11 75.67 8.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.775 0.83 . . . . 0.0 109.378 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -149.05 98.1 2.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.634 -174.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.679 ' HB3' HD11 ' A' ' 8' ' ' LEU . 49.9 t-20 -165.64 129.53 2.25 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -67.07 -18.64 65.43 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.43 0.692 . . . . 0.0 111.941 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 5' ' ' ASN . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.506 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD21 ' O ' ' A' ' 67' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.418 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.418 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 70' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' O ' HD21 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD11 HG22 ' A' ' 3' ' ' THR . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -96.68 12.24 32.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.92 124.2 31.66 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 123.767 0.667 . . . . 0.0 112.445 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.1 -23.91 62.5 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.764 0.826 . . . . 0.0 112.568 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.15 0.98 . . . . 0.0 110.356 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.48 88.33 1.22 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.538 0.735 . . . . 0.0 109.258 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 p -107.64 -80.59 0.57 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.029 0.532 . . . . 0.0 111.476 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.5 ' HA ' HD13 ' A' ' 8' ' ' LEU . 24.9 t -81.98 90.04 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -169.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -77.27 169.93 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.781 167.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -49.84 -32.71 14.88 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.375 0.67 . . . . 0.0 112.133 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 4' ' ' SER . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 HD13 HD12 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.595 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.595 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' HD21 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD21 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -96.99 17.79 16.16 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.9 -54.93 33.9 Favored Glycine 0 C--N 1.354 1.548 0 C-N-CA 123.671 0.653 . . . . 0.0 113.905 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -139.54 112.46 8.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.167 0.987 . . . . 0.0 109.619 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.87 -170.68 2.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.299 1.04 . . . . 0.0 109.54 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 HG23 HG23 ' A' ' 24' ' ' ILE . 41.2 p -90.95 -170.71 2.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.774 0.83 . . . . 0.0 110.453 173.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.51 ' HB3' HD13 ' A' ' 8' ' ' LEU . 32.6 t -71.04 174.39 6.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.194 0.597 . . . . 0.0 111.065 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -74.07 -158.28 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.841 1.257 . . . . 0.0 111.485 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -50.28 -18.15 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.354 1.462 . . . . 0.0 114.698 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 4' ' ' SER . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CZ ' HG22 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 HG23 HG23 ' A' ' 3' ' ' THR . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD11 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.428 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -88.71 18.31 4.8 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 32' ' ' PRO . . . -81.3 -177.82 51.98 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.724 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.12 11.37 23.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.629 0.772 . . . . 0.0 111.578 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.634 0.774 . . . . 0.0 110.075 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.612 ' HB3' HD21 ' A' ' 73' ' ' LEU . 29.5 m-20 82.5 -50.16 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.777 1.631 . . . . 0.0 111.362 174.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.438 ' HA ' HD22 ' A' ' 8' ' ' LEU . 21.3 p -66.03 95.65 0.28 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.288 0.635 . . . . 0.0 109.341 169.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 6.6 m -62.18 124.83 21.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.714 1.206 . . . . 0.0 111.145 -173.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.05 -12.48 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.024 0.93 . . . . 0.0 113.403 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -105.05 -44.94 4.66 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.167 0.587 . . . . 0.0 110.588 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 3' ' ' THR . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.586 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.586 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.497 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.612 HD21 ' HB3' ' A' ' 2' ' ' ASP . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -125.14 70.51 1.16 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.37 77.79 0.24 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.393 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -87.9 138.65 31.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.05 0.94 . . . . 0.0 110.233 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 C-N-CA 123.795 0.838 . . . . 0.0 109.167 178.424 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.68 128.88 54.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.121 0.569 . . . . 0.0 111.462 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -87.18 -28.45 22.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.742 0.817 . . . . 0.0 110.598 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 p -82.0 69.64 8.75 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 122.158 0.98 . . . . 0.0 108.988 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.537 ' HB3' HD11 ' A' ' 8' ' ' LEU . 50.8 t-20 -140.93 136.67 32.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.474 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.83 -6.59 51.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.665 0.786 . . . . 0.0 112.26 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 5' ' ' ASN . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -116.43 55.78 0.8 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.38 93.61 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.656 166.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -161.39 -175.84 5.03 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.752 1.221 . . . . 0.0 109.074 173.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.388 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 mpp? . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.797 0.332 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.33 156.21 37.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.388 1.075 . . . . 0.0 112.896 -173.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -75.48 134.04 40.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 165.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.452 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.6 m -67.96 84.62 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -53.68 -40.78 66.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.755 1.222 . . . . 0.0 113.935 -163.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -98.66 -22.48 15.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.046 0.538 . . . . 0.0 111.303 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD11 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.538 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HG ' HD11 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.449 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HE2' HD11 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 -116.9 -173.45 2.39 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.68 93.54 0.14 Allowed Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.97 81.88 0.17 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 110.868 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 123.499 0.72 . . . . 0.0 109.1 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.451 0.167 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.09 142.47 33.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.1 0.56 . . . . 0.0 110.281 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.2 p -76.66 86.99 3.32 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.651 0.78 . . . . 0.0 109.981 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 t -57.05 110.63 0.86 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.334 1.054 . . . . 0.0 111.168 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -69.34 -10.28 57.18 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.652 0.381 . . . . 0.0 111.667 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -85.33 -63.94 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.196 0.598 . . . . 0.0 110.256 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD12 HE21 ' A' ' 14' ' ' GLN . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.569 HE21 HD12 ' A' ' 11' ' ' LEU . 12.0 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.4 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 HD22 HD22 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD11 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 HD12 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.81 112.36 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.11 -153.56 24.4 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.8 134.6 40.36 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.612 0.765 . . . . 0.0 110.785 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.048 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.34 151.02 39.85 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.378 0.671 . . . . 0.0 111.114 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -95.38 105.01 16.93 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.424 0.69 . . . . 0.0 110.351 173.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -65.91 104.63 1.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.66 0.784 . . . . 0.0 109.99 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.1 5.13 8.75 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.568 0.747 . . . . 0.0 112.293 -173.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -103.87 -38.47 7.01 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.495 0.718 . . . . 0.0 109.823 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HZ3' ' A' ' 45' ' ' TRP . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' HA ' HD22 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 HD13 ' HB1' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.408 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD11 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' HD1' ' HB2' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.402 ' HZ3' HD13 ' A' ' 17' ' ' LEU . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.463 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD11 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.9 pt20 -124.1 25.42 7.87 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.07 -27.67 70.86 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.572 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -112.06 110.5 20.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.757 0.823 . . . . 0.0 110.28 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.173 0 C-N-CA 124.962 1.305 . . . . 0.0 111.05 177.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HB3' HD21 ' A' ' 73' ' ' LEU . 4.4 mpp? . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.91 142.75 32.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.667 0.787 . . . . 0.0 109.426 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.441 ' HA ' HD12 ' A' ' 73' ' ' LEU . 72.9 p -86.07 148.63 25.63 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.558 0.743 . . . . 0.0 111.359 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.48 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.9 m -76.31 79.96 3.07 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 166.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.54 -30.62 54.48 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.991 1.316 . . . . 0.0 114.176 -163.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -102.71 -21.89 14.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.841 0.456 . . . . 0.0 112.145 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' HB3' ' HB1' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.48 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' HD21 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HG2' ' HB3' ' A' ' 79' ' ' ALA . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.543 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 1' ' ' MET . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.433 HD21 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -104.25 6.87 35.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.82 115.57 6.67 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.0 123.99 22.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.018 0.927 . . . . 0.0 111.168 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.493 ' HB3' ' HG2' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 123.649 0.78 . . . . 0.0 109.868 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -146.01 113.28 6.22 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.791 0.836 . . . . 0.0 109.463 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -77.61 77.03 4.13 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -56.49 118.32 4.69 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.139 0.976 . . . . 0.0 111.374 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -77.1 0.68 20.6 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.001 0.92 . . . . 0.0 111.457 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -102.75 -60.48 1.54 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.814 0.846 . . . . 0.0 109.46 172.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 ' HG ' HD11 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' HB2' HD12 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD11 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -108.67 58.15 0.61 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.9 116.11 7.05 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.598 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -127.46 138.8 53.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.189 0.996 . . . . 0.0 109.248 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.315 0.646 . . . . 0.0 109.811 -176.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.773 -0.155 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' HB2' HD21 ' A' ' 73' ' ' LEU . 2.5 p-10 -58.31 -51.4 69.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.8 0.84 . . . . 0.0 112.958 -174.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -80.19 -4.52 53.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 t -125.25 22.7 7.78 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.804 0.842 . . . . 0.0 109.747 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -84.43 143.04 29.67 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.912 0.885 . . . . 0.0 108.792 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -58.18 -21.43 47.36 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.41 1.084 . . . . 0.0 112.781 -174.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD13 ' HB3' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HG ' HD22 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.465 ' NE1' ' HB2' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.58 HD22 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 2' ' ' ASP . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -98.6 3.39 47.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.91 63.51 3.49 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 102.71 2.5 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.691 0.796 . . . . 0.0 111.077 -172.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.734 174.635 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 CA--C 1.557 1.234 0 CA-C-O 120.927 0.394 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.52 109.11 3.57 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.906 -0.496 . . . . 0.0 110.509 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 p -72.2 101.58 2.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.431 0.692 . . . . 0.0 110.295 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.542 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 22.6 m -58.15 105.98 0.33 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.42 0.688 . . . . 0.0 111.079 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -55.36 -45.91 76.48 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -105.57 -30.49 9.48 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.363 0.665 . . . . 0.0 111.745 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HA ' HD12 ' A' ' 24' ' ' ILE . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.507 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.431 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.627 HD12 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' HB3' HD23 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.507 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -85.36 122.88 30.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.98 69.94 3.0 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.999 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.99 128.21 35.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.605 0.762 . . . . 0.0 109.532 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.277 0.631 . . . . 0.0 109.929 -176.648 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.721 0.296 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -139.21 173.1 11.9 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 HG21 HD21 ' A' ' 73' ' ' LEU . 22.9 p -55.76 -60.94 2.74 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -69.5 86.93 0.45 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.685 0.794 . . . . 0.0 110.631 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -80.37 150.31 29.9 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.408 -1.269 . . . . 0.0 107.933 173.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -62.97 -19.51 64.38 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.428 0.691 . . . . 0.0 112.323 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.497 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD11 ' HB1' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB2' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -111.23 128.31 55.89 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.61 148.11 13.8 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 123.359 0.412 . . . . 0.0 112.795 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.52 133.7 51.08 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 172.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 C-N-CA 123.598 0.759 . . . . 0.0 108.998 -177.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.473 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.431 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 70' ' ' LEU . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 70' ' ' LEU . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 HD23 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD23 HD21 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 N--CA 1.507 2.379 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 19.4 pt20 . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.661 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' HE2' HD11 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 8' ' ' LEU . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' HD12 ' A' ' 7' ' ' LEU . 26.1 m170 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.991 0.425 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.633 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.988 0.423 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 HD21 ' A' ' 53' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 13.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 15' ' ' LEU . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' HD23 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 17.7 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.747 0.308 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 42' ' ' ALA . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 44' ' ' PHE . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' HE2' HD11 ' A' ' 17' ' ' LEU . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 HD21 ' A' ' 39' ' ' LEU . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD12 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 53' ' ' LEU . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.473 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HE2' HD12 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 m170 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 HD11 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 53' ' ' LEU . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' HA ' HD23 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.518 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HD1' ' HB1' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.476 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD13 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 13.8 pt20 . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.514 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 39' ' ' LEU . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD23 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' H ' HD22 ' A' ' 7' ' ' LEU . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HB1' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 23' ' ' ALA . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' H ' ' HG3' ' A' ' 20' ' ' GLU . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.614 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 52.6 mtt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' A' ' 73' ' ' LEU . 2.8 p30 -167.66 173.55 8.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.455 -164.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -70.92 -26.47 63.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.037 0.935 . . . . 0.0 111.925 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -78.07 -5.79 52.6 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.806 0.842 . . . . 0.0 111.527 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.619 ' HB2' HD13 ' A' ' 8' ' ' LEU . 10.2 m120 -56.98 116.6 3.3 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 122.926 0.49 . . . . 0.0 109.852 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -67.98 -7.5 29.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.633 0.773 . . . . 0.0 111.689 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 5' ' ' ASN . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.473 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.431 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 1' ' ' MET . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 2' ' ' ASP . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.99 50.01 0.91 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.48 -126.4 0.67 Allowed Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.65 -0.705 . . . . 0.0 113.126 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -104.2 -159.14 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.806 0.842 . . . . 0.0 110.04 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 123.239 0.616 . . . . 0.0 110.646 172.305 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 tpp . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 73' ' ' LEU . 8.0 m-20 -90.87 -6.77 53.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.402 0.681 . . . . 0.0 112.499 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.566 ' HA ' HD22 ' A' ' 8' ' ' LEU . 73.6 p -64.11 137.04 57.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.729 0.411 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 t 77.46 -25.9 0.19 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.186 1.394 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 m120 -70.15 146.71 50.63 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.562 0.745 . . . . 0.0 109.862 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -64.9 -2.4 2.6 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 3' ' ' THR . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 5' ' ' ASN . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 70' ' ' LEU . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -120.75 26.61 9.0 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.37 95.49 0.12 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.981 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.42 104.22 3.06 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 123.991 0.916 . . . . 0.0 109.815 -179.68 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.692 0.282 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.78 -178.13 5.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.151 0.98 . . . . 0.0 109.007 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.515 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.3 m -86.65 -24.82 25.15 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 122.864 0.466 . . . . 0.0 111.969 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -77.82 -4.9 48.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.526 0.73 . . . . 0.0 111.858 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -62.89 129.19 39.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.289 0.636 . . . . 0.0 110.666 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.63 -13.26 40.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.296 1.038 . . . . 0.0 111.887 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 3' ' ' THR . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 HD23 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD23 HD21 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.1 -6.65 58.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.46 90.17 0.23 Allowed Glycine 0 C--N 1.345 1.059 0 O-C-N 123.55 0.531 . . . . 0.0 111.87 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 0.83 29.34 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.13 0.972 . . . . 0.0 111.874 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.243 1.417 . . . . 0.0 109.607 -177.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.64 171.05 14.57 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.292 0.637 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -69.49 -62.92 1.19 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.552 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.3 p -76.31 83.72 3.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.251 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 34.0 t30 -129.26 153.34 47.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 170.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -45.01 -23.22 0.13 Allowed 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 125.464 1.506 . . . . 0.0 114.469 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -111.87 38.79 2.55 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -27.84 65.43 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.244 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -115.65 95.33 5.09 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 123.917 0.887 . . . . 0.0 109.34 179.382 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.59 -177.9 3.89 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.743 0.817 . . . . 0.0 110.665 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 ' HA ' HD22 ' A' ' 8' ' ' LEU . 4.0 m -79.23 -40.71 29.97 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.883 0.473 . . . . 0.0 111.391 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -73.52 97.73 2.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.5 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.539 HD21 HD13 ' A' ' 8' ' ' LEU . 6.6 p30 -175.53 -176.93 0.93 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.848 1.259 . . . . 0.0 109.396 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -103.17 -6.63 21.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.315 0.646 . . . . 0.0 111.766 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 HD21 ' A' ' 5' ' ' ASN . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 19.4 pt20 -131.43 -177.99 4.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.9 155.75 19.66 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 167.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.56 146.75 41.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 117.55 0.675 . . . . 0.0 109.703 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.181 178.088 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' HD23 ' A' ' 73' ' ' LEU . 23.2 mmt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -119.22 148.69 42.84 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.509 1.123 . . . . 0.0 110.304 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 28' ' ' ILE . 32.4 p -63.04 105.75 0.74 Allowed 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.316 0.647 . . . . 0.0 110.749 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD13 ' A' ' 8' ' ' LEU . 20.2 m -73.2 89.35 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.544 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -88.14 16.08 6.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.812 0.845 . . . . 0.0 112.518 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -104.24 -26.86 12.34 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.396 0.678 . . . . 0.0 109.918 163.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.661 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 3' ' ' THR . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' HE2' HD11 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 1' ' ' MET . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -111.03 28.91 8.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.31 146.45 48.15 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.237 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.43 126.28 26.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.007 0.923 . . . . 0.0 111.32 -174.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.297 1.039 . . . . 0.0 108.958 -176.317 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.56 -179.04 7.0 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.337 1.055 . . . . 0.0 110.185 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' HD11 ' A' ' 73' ' ' LEU . 5.2 t -57.0 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 122.226 1.012 . . . . 0.0 111.75 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 7' ' ' LEU . 20.3 m -72.62 100.42 2.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.471 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.29 5.67 2.73 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.397 0.679 . . . . 0.0 112.202 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' HD12 ' A' ' 7' ' ' LEU . 26.1 m170 -101.61 -45.42 5.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.323 0.649 . . . . 0.0 110.256 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.633 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -85.59 112.66 21.17 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.26 6.13 65.86 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.92 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.27 128.91 37.86 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.11 0.564 . . . . 0.0 109.849 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.189 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.564 -0.162 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.45 125.85 48.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.782 0.833 . . . . 0.0 110.731 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 73' ' ' LEU . 59.6 p -81.11 75.67 8.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.775 0.83 . . . . 0.0 109.378 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -149.05 98.1 2.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.634 -174.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 8' ' ' LEU . 49.9 t-20 -165.64 129.53 2.25 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -67.07 -18.64 65.43 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.43 0.692 . . . . 0.0 111.941 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 5' ' ' ASN . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 HD21 ' A' ' 53' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 13.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 15' ' ' LEU . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 3' ' ' THR . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -96.68 12.24 32.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.92 124.2 31.66 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 123.767 0.667 . . . . 0.0 112.445 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.1 -23.91 62.5 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.764 0.826 . . . . 0.0 112.568 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.15 0.98 . . . . 0.0 110.356 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.48 88.33 1.22 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.538 0.735 . . . . 0.0 109.258 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 p -107.64 -80.59 0.57 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.029 0.532 . . . . 0.0 111.476 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 8' ' ' LEU . 24.9 t -81.98 90.04 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -169.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -77.27 169.93 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.781 167.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -49.84 -32.71 14.88 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.375 0.67 . . . . 0.0 112.133 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 4' ' ' SER . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' HD23 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 17.7 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -96.99 17.79 16.16 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.9 -54.93 33.9 Favored Glycine 0 C--N 1.354 1.548 0 C-N-CA 123.671 0.653 . . . . 0.0 113.905 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -139.54 112.46 8.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.167 0.987 . . . . 0.0 109.619 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.87 -170.68 2.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.299 1.04 . . . . 0.0 109.54 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.469 HG21 HG22 ' A' ' 24' ' ' ILE . 41.2 p -90.95 -170.71 2.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.774 0.83 . . . . 0.0 110.453 173.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HB3' HD13 ' A' ' 8' ' ' LEU . 32.6 t -71.04 174.39 6.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.194 0.597 . . . . 0.0 111.065 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -74.07 -158.28 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.841 1.257 . . . . 0.0 111.485 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -50.28 -18.15 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.354 1.462 . . . . 0.0 114.698 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 4' ' ' SER . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG22 HG21 ' A' ' 3' ' ' THR . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -88.71 18.31 4.8 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 32' ' ' PRO . . . -81.3 -177.82 51.98 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.724 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.12 11.37 23.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.629 0.772 . . . . 0.0 111.578 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.634 0.774 . . . . 0.0 110.075 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.637 ' HB3' HD21 ' A' ' 73' ' ' LEU . 29.5 m-20 82.5 -50.16 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.777 1.631 . . . . 0.0 111.362 174.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.45 ' HA ' HD22 ' A' ' 8' ' ' LEU . 21.3 p -66.03 95.65 0.28 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.288 0.635 . . . . 0.0 109.341 169.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 6.6 m -62.18 124.83 21.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.714 1.206 . . . . 0.0 111.145 -173.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.05 -12.48 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.024 0.93 . . . . 0.0 113.403 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -105.05 -44.94 4.66 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.167 0.587 . . . . 0.0 110.588 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 3' ' ' THR . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 42' ' ' ALA . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 2' ' ' ASP . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -125.14 70.51 1.16 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.37 77.79 0.24 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.393 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -87.9 138.65 31.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.05 0.94 . . . . 0.0 110.233 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 C-N-CA 123.795 0.838 . . . . 0.0 109.167 178.424 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.68 128.88 54.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.121 0.569 . . . . 0.0 111.462 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -87.18 -28.45 22.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.742 0.817 . . . . 0.0 110.598 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 p -82.0 69.64 8.75 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 122.158 0.98 . . . . 0.0 108.988 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.56 ' HB3' HD13 ' A' ' 8' ' ' LEU . 50.8 t-20 -140.93 136.67 32.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.474 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.83 -6.59 51.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.665 0.786 . . . . 0.0 112.26 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 5' ' ' ASN . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 44' ' ' PHE . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' HE2' HD11 ' A' ' 17' ' ' LEU . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 HD21 ' A' ' 39' ' ' LEU . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -116.43 55.78 0.8 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.38 93.61 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.656 166.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -161.39 -175.84 5.03 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.752 1.221 . . . . 0.0 109.074 173.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.388 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.797 0.332 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.33 156.21 37.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.388 1.075 . . . . 0.0 112.896 -173.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -75.48 134.04 40.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 165.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.46 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.6 m -67.96 84.62 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -53.68 -40.78 66.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.755 1.222 . . . . 0.0 113.935 -163.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -98.66 -22.48 15.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.046 0.538 . . . . 0.0 111.303 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD12 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 53' ' ' LEU . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.473 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HE2' HD12 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 -116.9 -173.45 2.39 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.68 93.54 0.14 Allowed Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.97 81.88 0.17 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 110.868 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 123.499 0.72 . . . . 0.0 109.1 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.451 0.167 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.09 142.47 33.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.1 0.56 . . . . 0.0 110.281 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.2 p -76.66 86.99 3.32 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.651 0.78 . . . . 0.0 109.981 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 t -57.05 110.63 0.86 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.334 1.054 . . . . 0.0 111.168 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -69.34 -10.28 57.18 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.652 0.381 . . . . 0.0 111.667 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -85.33 -63.94 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.196 0.598 . . . . 0.0 110.256 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 15' ' ' LEU . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 HD11 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.81 112.36 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.11 -153.56 24.4 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.8 134.6 40.36 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.612 0.765 . . . . 0.0 110.785 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.048 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.34 151.02 39.85 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.378 0.671 . . . . 0.0 111.114 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -95.38 105.01 16.93 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.424 0.69 . . . . 0.0 110.351 173.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -65.91 104.63 1.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.66 0.784 . . . . 0.0 109.99 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.1 5.13 8.75 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.568 0.747 . . . . 0.0 112.293 -173.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -103.87 -38.47 7.01 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.495 0.718 . . . . 0.0 109.823 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 53' ' ' LEU . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' HA ' HD23 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.518 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HD1' ' HB1' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.476 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD13 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.9 pt20 -124.1 25.42 7.87 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.07 -27.67 70.86 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.572 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -112.06 110.5 20.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.757 0.823 . . . . 0.0 110.28 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.173 0 C-N-CA 124.962 1.305 . . . . 0.0 111.05 177.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HB3' HD23 ' A' ' 73' ' ' LEU . 4.4 mpp? . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.91 142.75 32.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.667 0.787 . . . . 0.0 109.426 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 73' ' ' LEU . 72.9 p -86.07 148.63 25.63 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.558 0.743 . . . . 0.0 111.359 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.9 m -76.31 79.96 3.07 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 166.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.54 -30.62 54.48 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.991 1.316 . . . . 0.0 114.176 -163.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -102.71 -21.89 14.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.841 0.456 . . . . 0.0 112.145 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.514 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 1' ' ' MET . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -104.25 6.87 35.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.82 115.57 6.67 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.0 123.99 22.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.018 0.927 . . . . 0.0 111.168 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 123.649 0.78 . . . . 0.0 109.868 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -146.01 113.28 6.22 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.791 0.836 . . . . 0.0 109.463 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -77.61 77.03 4.13 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -56.49 118.32 4.69 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.139 0.976 . . . . 0.0 111.374 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -77.1 0.68 20.6 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.001 0.92 . . . . 0.0 111.457 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -102.75 -60.48 1.54 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.814 0.846 . . . . 0.0 109.46 172.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 39' ' ' LEU . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -108.67 58.15 0.61 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.9 116.11 7.05 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.598 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -127.46 138.8 53.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.189 0.996 . . . . 0.0 109.248 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.315 0.646 . . . . 0.0 109.811 -176.895 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.773 -0.155 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HB2' HD21 ' A' ' 73' ' ' LEU . 2.5 p-10 -58.31 -51.4 69.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.8 0.84 . . . . 0.0 112.958 -174.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -80.19 -4.52 53.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 t -125.25 22.7 7.78 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.804 0.842 . . . . 0.0 109.747 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -84.43 143.04 29.67 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.912 0.885 . . . . 0.0 108.792 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -58.18 -21.43 47.36 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.41 1.084 . . . . 0.0 112.781 -174.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD23 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 2' ' ' ASP . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -98.6 3.39 47.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.91 63.51 3.49 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 102.71 2.5 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.691 0.796 . . . . 0.0 111.077 -172.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.734 174.635 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 CA--C 1.557 1.234 0 CA-C-O 120.927 0.394 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.52 109.11 3.57 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.906 -0.496 . . . . 0.0 110.509 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 p -72.2 101.58 2.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.431 0.692 . . . . 0.0 110.295 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 22.6 m -58.15 105.98 0.33 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.42 0.688 . . . . 0.0 111.079 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -55.36 -45.91 76.48 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -105.57 -30.49 9.48 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.363 0.665 . . . . 0.0 111.745 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HB1' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -85.36 122.88 30.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.98 69.94 3.0 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.999 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.99 128.21 35.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.605 0.762 . . . . 0.0 109.532 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.277 0.631 . . . . 0.0 109.929 -176.648 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.721 0.296 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -139.21 173.1 11.9 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HD22 ' A' ' 73' ' ' LEU . 22.9 p -55.76 -60.94 2.74 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -69.5 86.93 0.45 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.685 0.794 . . . . 0.0 110.631 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -80.37 150.31 29.9 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.408 -1.269 . . . . 0.0 107.933 173.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -62.97 -19.51 64.38 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.428 0.691 . . . . 0.0 112.323 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 23' ' ' ALA . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' H ' ' HG3' ' A' ' 20' ' ' GLU . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -111.23 128.31 55.89 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.61 148.11 13.8 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 123.359 0.412 . . . . 0.0 112.795 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.52 133.7 51.08 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 172.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 C-N-CA 123.598 0.759 . . . . 0.0 108.998 -177.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.473 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.431 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HG ' HD13 ' A' ' 70' ' ' LEU . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 70' ' ' LEU . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.618 HD12 HE21 ' A' ' 14' ' ' GLN . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.618 HE21 HD12 ' A' ' 11' ' ' LEU . 12.1 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 HD23 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD23 HD21 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 . . . . . 0 N--CA 1.507 2.379 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 19.4 pt20 . . . . . 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.661 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' HE2' HD11 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 8' ' ' LEU . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' HD12 ' A' ' 7' ' ' LEU . 26.1 m170 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.991 0.425 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.633 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 120.988 0.423 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 HD21 ' A' ' 53' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 15' ' ' LEU . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 . . . . . 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' HD23 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 . . . . . 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 . . . . . 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.747 0.308 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 42' ' ' ALA . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 44' ' ' PHE . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' HE2' HD11 ' A' ' 17' ' ' LEU . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 HD21 ' A' ' 39' ' ' LEU . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD12 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 53' ' ' LEU . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.473 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HE2' HD12 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 . . . . . 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 m170 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 HE21 ' A' ' 14' ' ' GLN . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.601 HE21 HD12 ' A' ' 11' ' ' LEU . 12.0 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD11 HE22 ' A' ' 49' ' ' GLN . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.432 HE22 HD11 ' A' ' 17' ' ' LEU . 28.8 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 HD11 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 53' ' ' LEU . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.456 ' HA ' HD23 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.518 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HD1' ' HB1' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.476 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD13 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.9 pt20 . . . . . 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.514 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 39' ' ' LEU . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 N--CA 1.498 1.957 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD23 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 . . . . . 0 N--CA 1.487 1.375 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' H ' HD22 ' A' ' 7' ' ' LEU . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HB1' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 23' ' ' ALA . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' H ' ' HG3' ' A' ' 20' ' ' GLU . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.614 ' HA ' ' HA2' ' A' ' 69' ' ' GLY . 52.6 mtt . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.598 ' HA ' HD21 ' A' ' 73' ' ' LEU . 2.8 p30 -167.66 173.55 8.41 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.455 -164.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.2 p -70.92 -26.47 63.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.037 0.935 . . . . 0.0 111.925 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t -78.07 -5.79 52.6 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 123.806 0.842 . . . . 0.0 111.527 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.619 ' HB2' HD13 ' A' ' 8' ' ' LEU . 97.5 m-20 -56.98 116.6 3.3 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 122.926 0.49 . . . . 0.0 109.852 170.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -67.98 -7.5 29.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.633 0.773 . . . . 0.0 111.689 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.9 mp -73.68 -32.53 64.0 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.393 0.677 . . . . 0.0 110.756 172.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 5' ' ' ASN . 7.5 mp -57.46 -50.0 90.62 Favored Pre-proline 0 CA--C 1.566 1.567 0 CA-C-O 118.02 -0.99 . . . . 0.0 111.924 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -43.34 -52.49 4.97 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 122.687 2.258 . . . . 0.0 114.099 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.67 -33.2 66.94 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-N 116.3 -0.409 . . . . 0.0 113.339 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 14' ' ' GLN . 42.7 tp -71.11 -37.37 72.36 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.61 0.764 . . . . 0.0 110.538 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -72.53 -42.82 64.34 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.171 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD2' ' HB3' ' A' ' 19' ' ' ASP . 44.8 mtp85 -58.58 -36.82 74.57 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.833 0.453 . . . . 0.0 110.785 174.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 25.6 tt0 -60.92 -41.67 96.63 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 124.094 0.958 . . . . 0.0 110.991 173.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.8 -9.35 56.02 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 123.711 0.804 . . . . 0.0 111.992 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.45 40.37 5.4 Favored Glycine 0 N--CA 1.479 1.523 0 C-N-CA 123.444 0.545 . . . . 0.0 113.812 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.18 178.76 6.19 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 125.497 1.519 . . . . 0.0 109.177 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -74.77 150.95 39.19 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.561 0.744 . . . . 0.0 111.923 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.473 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 4.7 p-10 -93.99 -2.3 53.29 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.002 0.921 . . . . 0.0 111.402 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -70.94 111.42 9.77 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 124.007 0.923 . . . . 0.0 108.61 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -56.65 -27.39 69.98 Favored 'Trans proline' 0 C--N 1.383 2.384 0 C-N-CA 123.623 2.882 . . . . 0.0 113.408 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.75 -42.47 81.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.39 0.676 . . . . 0.0 110.552 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.41 -35.2 63.42 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.431 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 55.9 mt -62.38 -50.36 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.782 1.233 . . . . 0.0 110.687 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ppt_? -66.39 -28.1 68.37 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.255 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.19 65.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.358 0.663 . . . . 0.0 111.471 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -66.83 -49.43 65.8 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.034 0.534 . . . . 0.0 110.816 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.4 pt -71.38 -29.16 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.635 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.78 -45.93 63.82 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.096 0.558 . . . . 0.0 110.293 173.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.7 t -69.61 -26.04 64.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.055 0.542 . . . . 0.0 111.087 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -135.81 76.58 53.06 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.752 0.821 . . . . 0.0 109.621 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.62 -179.77 5.64 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.021 2.48 . . . . 0.0 111.918 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.0 mt -126.68 152.15 74.36 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.127 0.971 . . . . 0.0 109.741 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.9 Cg_exo -69.24 149.0 69.69 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.489 2.126 . . . . 0.0 110.054 171.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 18.6 Cg_exo -66.35 -4.16 10.14 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.989 2.459 . . . . 0.0 113.851 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.83 -31.54 17.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.369 0.668 . . . . 0.0 110.352 173.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -100.79 107.15 47.85 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 123.384 0.674 . . . . 0.0 110.71 -175.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.04 -178.72 4.05 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.68 2.253 . . . . 0.0 113.586 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.9 tp -61.2 -49.93 86.15 Favored Pre-proline 0 CA--C 1.571 1.763 0 C-N-CA 124.485 1.114 . . . . 0.0 113.191 -173.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.62 -13.33 22.35 Favored 'Trans proline' 0 C--N 1.396 3.046 0 C-N-CA 121.988 1.792 . . . . 0.0 113.404 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -96.93 1.55 50.57 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.47 0.708 . . . . 0.0 111.062 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.1 126.13 90.56 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.088 0.555 . . . . 0.0 110.546 177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.1 -1.82 11.89 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.5 2.133 . . . . 0.0 112.173 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.79 -37.83 79.56 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.158 0.983 . . . . 0.0 110.534 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -87.13 150.14 24.18 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.077 0.551 . . . . 0.0 109.619 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -71.69 149.58 93.12 Favored Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.666 0.786 . . . . 0.0 109.705 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -57.62 -36.05 98.65 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 123.141 2.56 . . . . 0.0 114.059 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.56 -43.78 65.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.847 0.459 . . . . 0.0 111.004 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.78 -29.83 68.28 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.561 0.744 . . . . 0.0 111.529 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.73 -38.95 53.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.873 0.869 . . . . 0.0 110.112 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.66 -30.15 67.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.47 0.708 . . . . 0.0 110.739 173.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -71.43 -43.99 65.69 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.244 0.618 . . . . 0.0 109.767 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.91 -41.23 91.25 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.392 0.677 . . . . 0.0 109.821 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 64.2 ttt180 -55.67 -37.08 67.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.401 1.063 . . . . 0.0 111.871 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -55.45 -38.82 69.54 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 123.533 0.733 . . . . 0.0 111.999 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.86 -23.51 60.75 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.811 0.844 . . . . 0.0 111.367 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.08 -19.27 23.33 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.765 0.826 . . . . 0.0 112.023 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.6 mm-40 -80.6 -45.46 17.29 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.339 0.59 . . . . 0.0 109.497 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 43.0 t -137.56 143.68 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 114.516 -1.22 . . . . 0.0 108.406 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.99 106.39 0.5 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.714 0.806 . . . . 0.0 110.224 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.07 -172.95 2.2 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.811 0.844 . . . . 0.0 111.218 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -25.44 60.59 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.763 0.425 . . . . 0.0 110.403 172.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -91.37 21.86 4.25 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.919 0.888 . . . . 0.0 111.245 174.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -65.35 -50.71 64.54 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.45 0.3 . . . . 0.0 110.647 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -71.59 -24.38 61.89 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.758 0.423 . . . . 0.0 111.498 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -66.87 -52.05 48.1 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 175.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.65 54.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.91 0.884 . . . . 0.0 111.563 -174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -69.21 -47.18 65.52 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.518 0.727 . . . . 0.0 110.215 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 1' ' ' MET . . . -65.95 -22.69 70.62 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.696 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -85.64 -45.71 11.45 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 122.796 0.438 . . . . 0.0 110.801 172.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.33 73.34 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.647 0.779 . . . . 0.0 112.315 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.02 -39.51 85.48 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.043 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 2' ' ' ASP . 66.1 mt -68.47 -39.18 81.51 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.686 0.794 . . . . 0.0 111.618 -176.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.56 -51.27 29.65 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.867 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.0 mt-30 -76.39 -24.84 54.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.225 0.61 . . . . 0.0 111.94 -175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.99 50.01 0.91 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.48 -126.4 0.67 Allowed Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.65 -0.705 . . . . 0.0 113.126 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -104.2 -159.14 0.7 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.806 0.842 . . . . 0.0 110.04 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.22 0 C-N-CA 123.239 0.616 . . . . 0.0 110.646 172.305 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 tpp . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 73' ' ' LEU . 8.0 m-20 -90.87 -6.77 53.76 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.402 0.681 . . . . 0.0 112.499 -175.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.566 ' HA ' HD22 ' A' ' 8' ' ' LEU . 73.6 p -64.11 137.04 57.78 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.729 0.411 . . . . 0.0 110.27 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.7 t 77.46 -25.9 0.19 Allowed 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.186 1.394 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.2 m120 -70.15 146.71 50.63 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.562 0.745 . . . . 0.0 109.862 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -64.9 -2.4 2.6 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -167.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.75 -42.2 97.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.82 0.848 . . . . 0.0 110.085 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.566 HD22 ' HA ' ' A' ' 3' ' ' THR . 9.3 mp -72.23 -59.89 2.47 Favored Pre-proline 0 CA--C 1.564 1.514 0 CA-C-O 117.378 -1.296 . . . . 0.0 111.085 176.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.442 ' HD2' ' O ' ' A' ' 5' ' ' ASN . 45.9 Cg_exo -43.19 -45.73 9.56 Favored 'Trans proline' 0 C--N 1.402 3.388 0 C-N-CA 122.667 2.245 . . . . 0.0 113.676 172.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.42 -52.16 48.85 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.422 -0.808 . . . . 0.0 113.692 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.7 tp -69.32 -34.75 75.12 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.957 0.503 . . . . 0.0 111.185 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.27 -33.64 76.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.233 0.613 . . . . 0.0 111.254 178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 43.9 mtp85 -66.82 -29.12 68.97 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.557 0.343 . . . . 0.0 110.749 173.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -78.45 -27.16 46.36 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.125 0.57 . . . . 0.0 111.132 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.1 mt -95.42 -2.76 48.25 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.789 0.836 . . . . 0.0 111.514 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.71 3.21 90.6 Favored Glycine 0 C--N 1.351 1.395 0 CA-C-N 116.275 -0.421 . . . . 0.0 114.038 176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -82.44 -178.83 7.21 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.645 0.778 . . . . 0.0 110.82 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.67 140.42 39.58 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.233 0.613 . . . . 0.0 109.993 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.2 0.15 53.73 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.567 0.747 . . . . 0.0 111.582 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -72.68 124.16 90.42 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 123.925 0.89 . . . . 0.0 109.358 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -58.47 -32.67 96.89 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 123.108 2.539 . . . . 0.0 113.087 -175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.47 -41.78 84.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.443 0.697 . . . . 0.0 111.09 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -45.89 61.06 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.327 0.651 . . . . 0.0 110.754 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.2 -54.57 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.82 1.248 . . . . 0.0 111.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -63.18 -32.93 74.44 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.027 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.44 77.78 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.503 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -74.19 -45.93 45.28 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.743 0.417 . . . . 0.0 111.462 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.2 pt -69.32 -28.47 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.796 0.438 . . . . 0.0 111.27 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -79.61 -43.66 22.48 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.535 0.734 . . . . 0.0 111.216 176.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.8 t -73.28 -24.66 60.46 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.138 0.575 . . . . 0.0 111.317 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -140.52 84.74 13.75 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.064 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -75.9 -169.86 0.75 Allowed 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 123.009 2.472 . . . . 0.0 110.792 167.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 75.8 mt -129.43 154.08 80.69 Favored Pre-proline 0 N--CA 1.483 1.221 0 C-N-CA 123.691 0.797 . . . . 0.0 110.256 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 25.1 Cg_exo -64.97 147.13 88.95 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.412 2.075 . . . . 0.0 110.84 170.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.3 -16.6 55.3 Favored 'Trans proline' 0 C--N 1.367 1.534 0 C-N-CA 122.193 1.929 . . . . 0.0 112.115 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.56 -37.15 31.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.711 0.805 . . . . 0.0 110.709 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.441 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 82.2 t -100.53 101.83 16.64 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 123.206 0.602 . . . . 0.0 109.858 -177.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.14 178.82 5.55 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.481 2.121 . . . . 0.0 113.389 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 71' ' ' ALA . 30.5 tp -54.05 -53.4 58.91 Favored Pre-proline 0 CA--C 1.56 1.362 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.834 -175.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 71.1 Cg_endo -69.42 -20.78 35.99 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.801 1.667 . . . . 0.0 113.36 -177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -93.05 1.62 57.16 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.255 0.622 . . . . 0.0 111.677 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.27 120.28 78.69 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 122.557 0.343 . . . . 0.0 110.258 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -63.54 -10.16 20.83 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.919 2.413 . . . . 0.0 113.633 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.48 -36.48 76.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.887 0.875 . . . . 0.0 111.26 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 48.9 m95 -81.53 155.76 25.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.644 0.378 . . . . 0.0 110.623 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.8 p -78.56 148.9 74.16 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 123.978 0.911 . . . . 0.0 108.643 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -56.95 -29.7 83.34 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 122.943 2.429 . . . . 0.0 114.217 -169.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.16 12.11 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.941 0.496 . . . . 0.0 110.626 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -61.78 -37.68 85.24 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 124.051 0.94 . . . . 0.0 111.505 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . . . -68.16 -34.56 76.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 111.07 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.4 82.69 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.364 0.666 . . . . 0.0 110.848 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.69 -36.34 82.29 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.485 0.714 . . . . 0.0 110.879 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -39.42 94.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.294 173.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -64.58 -38.93 92.71 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.02 -30.19 68.52 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.398 0.679 . . . . 0.0 111.559 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.94 -36.61 69.96 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.433 0.693 . . . . 0.0 110.53 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.37 -28.68 47.11 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 122.788 0.435 . . . . 0.0 111.322 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -73.22 -52.72 13.04 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.665 0.786 . . . . 0.0 110.688 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.1 p -138.12 170.69 15.59 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.101 0.96 . . . . 0.0 109.685 -175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -72.61 86.97 1.21 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.82 0.819 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -174.75 4.05 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.438 171.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.02 -25.54 67.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.282 0.633 . . . . 0.0 112.029 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 69.6 m95 -124.9 33.51 5.19 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.465 0.706 . . . . 0.0 110.625 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 69.8 p -65.16 -43.65 91.07 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 120.705 0.288 . . . . 0.0 111.043 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.21 -41.4 66.94 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.563 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.98 79.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.79 0.836 . . . . 0.0 111.94 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.94 -26.0 40.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.644 0.778 . . . . 0.0 111.493 -177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.49 -49.28 56.2 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.204 0.526 . . . . 0.0 109.677 173.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -64.44 -39.78 97.19 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.317 177.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HG ' ' A' ' 8' ' ' LEU . 32.7 tp -68.11 -38.06 81.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -55.87 -48.44 75.57 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.131 0.573 . . . . 0.0 110.813 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.85 -26.73 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.746 -177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 92.7 mt -70.46 -30.99 67.95 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.487 0.315 . . . . 0.0 110.96 175.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 70' ' ' LEU . 4.4 mm? -77.62 -51.81 10.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.306 0.642 . . . . 0.0 110.575 175.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.12 -16.25 61.01 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.924 0.489 . . . . 0.0 112.07 -173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -120.75 26.61 9.0 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.386 0.674 . . . . 0.0 109.523 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.37 95.49 0.12 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.981 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -151.42 104.22 3.06 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 123.991 0.916 . . . . 0.0 109.815 -179.68 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.692 0.282 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -138.78 -178.13 5.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.151 0.98 . . . . 0.0 109.007 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.515 ' HA ' HD22 ' A' ' 8' ' ' LEU . 2.3 m -86.65 -24.82 25.15 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 122.864 0.466 . . . . 0.0 111.969 -175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -77.82 -4.9 48.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.526 0.73 . . . . 0.0 111.858 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -62.89 129.19 39.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.289 0.636 . . . . 0.0 110.666 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -63.63 -13.26 40.72 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.296 1.038 . . . . 0.0 111.887 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 90.1 mt -63.72 -36.13 82.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.505 1.122 . . . . 0.0 112.524 174.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 HD22 ' HA ' ' A' ' 3' ' ' THR . 10.9 mp -65.85 -54.49 28.09 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.73 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -43.86 -46.15 10.88 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 122.602 2.201 . . . . 0.0 114.037 170.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.33 -40.12 91.83 Favored Glycine 0 CA--C 1.538 1.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.354 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD12 HE21 ' A' ' 14' ' ' GLN . 48.6 tp -70.89 -38.52 73.05 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.629 0.772 . . . . 0.0 110.503 -177.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -71.99 -40.69 68.38 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.208 0.603 . . . . 0.0 110.693 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -51.12 -50.84 58.05 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.793 0.837 . . . . 0.0 111.692 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.618 HE21 HD12 ' A' ' 11' ' ' LEU . 12.1 pt20 -76.61 -19.56 57.7 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.982 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -89.8 -2.09 58.15 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.498 0.719 . . . . 0.0 111.313 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.4 30.43 Favored Glycine 0 C--N 1.355 1.619 0 O-C-N 123.239 0.337 . . . . 0.0 113.401 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.6 mt -129.66 168.14 16.92 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.277 1.431 . . . . 0.0 109.017 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.65 136.63 45.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.572 0.749 . . . . 0.0 111.248 -175.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -90.55 -5.36 56.04 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.195 0.998 . . . . 0.0 111.301 -175.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.16 121.62 83.34 Favored Pre-proline 0 N--CA 1.47 0.544 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.049 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.71 -32.64 56.05 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 124.066 3.177 . . . . 0.0 113.394 -177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.88 97.8 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.798 0.839 . . . . 0.0 111.317 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.11 -38.6 61.08 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.689 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -63.44 -50.17 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 124.153 0.981 . . . . 0.0 111.475 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -64.66 -25.42 67.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.233 0.613 . . . . 0.0 110.725 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.39 -36.83 53.09 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.498 0.719 . . . . 0.0 111.063 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.23 -52.35 59.23 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.325 0.583 . . . . 0.0 110.577 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 73' ' ' LEU . 2.5 pp -64.89 -29.37 47.19 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.87 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -79.34 -41.4 27.99 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.979 0.912 . . . . 0.0 110.716 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.2 m -72.06 -34.26 68.6 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.453 0.701 . . . . 0.0 111.615 -176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -137.66 96.7 10.58 Favored Pre-proline 0 CA--C 1.54 0.571 0 C-N-CA 123.418 0.687 . . . . 0.0 109.253 176.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.85 -172.16 1.44 Allowed 'Trans proline' 0 C--N 1.368 1.564 0 C-N-CA 122.734 2.289 . . . . 0.0 112.122 170.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 42' ' ' ALA . 81.7 mt -130.43 157.75 76.5 Favored Pre-proline 0 N--CA 1.48 1.064 0 C-N-CA 124.825 1.25 . . . . 0.0 109.049 176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 16.7 Cg_exo -69.68 148.2 65.05 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.712 2.274 . . . . 0.0 110.598 169.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 53.2 Cg_endo -67.12 -13.27 39.13 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.761 2.308 . . . . 0.0 113.228 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -91.57 -16.2 27.48 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.991 0.516 . . . . 0.0 111.678 175.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 81.5 t -102.66 103.5 32.8 Favored Pre-proline 0 CA--C 1.549 0.922 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -64.01 172.33 6.25 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.641 2.227 . . . . 0.0 113.653 175.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD21 HD23 ' A' ' 70' ' ' LEU . 52.1 tp -54.6 -53.83 55.74 Favored Pre-proline 0 CA--C 1.564 1.498 0 CA-C-O 117.976 -1.011 . . . . 0.0 113.063 -174.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.83 -18.42 47.19 Favored 'Trans proline' 0 C--N 1.398 3.147 0 C-N-CA 122.303 2.002 . . . . 0.0 112.728 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -88.01 1.34 54.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.571 0.748 . . . . 0.0 112.07 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -65.68 124.56 87.75 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 171.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -64.97 -11.39 29.49 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.867 2.378 . . . . 0.0 112.563 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -63.11 -32.15 73.46 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.777 1.231 . . . . 0.0 111.834 174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 43.8 m95 -82.19 141.68 32.82 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.372 0.269 . . . . 0.0 110.803 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.2 p -68.54 146.41 97.71 Favored Pre-proline 0 CA--C 1.547 0.851 0 O-C-N 124.146 0.904 . . . . 0.0 108.901 168.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -56.14 -29.38 74.79 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.917 2.412 . . . . 0.0 114.163 -171.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.3 47.99 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.105 0.562 . . . . 0.0 111.411 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -69.75 -27.38 64.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.001 0.92 . . . . 0.0 111.205 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.39 -38.0 56.34 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.093 0.957 . . . . 0.0 109.818 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.69 84.63 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.766 0.826 . . . . 0.0 110.599 175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.92 -49.57 76.93 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.489 1.116 . . . . 0.0 110.668 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.7 mt -70.11 -31.51 69.1 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.043 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -61.08 -44.58 97.16 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.13 0.972 . . . . 0.0 109.822 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -63.16 -38.04 89.61 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -23.51 61.86 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.646 0.778 . . . . 0.0 111.625 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -84.83 -34.7 22.64 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.353 0.661 . . . . 0.0 112.005 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.67 -62.95 1.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.142 0.428 . . . . 0.0 110.014 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.8 m -91.39 125.63 36.2 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -64.86 89.2 0.07 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 122.042 0.925 . . . . 0.0 110.067 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.52 -172.83 3.08 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.512 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.64 -28.94 70.25 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.312 169.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -103.06 33.07 3.42 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.723 0.809 . . . . 0.0 110.738 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.1 p -67.14 -51.98 47.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.752 0.421 . . . . 0.0 110.286 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.01 -24.18 59.54 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.824 0.85 . . . . 0.0 111.128 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -71.24 -48.08 53.34 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.621 0.368 . . . . 0.0 110.361 176.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.77 -36.62 59.77 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.429 0.691 . . . . 0.0 111.201 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.16 -48.44 57.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.559 0.744 . . . . 0.0 109.861 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.78 -20.18 72.06 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.725 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD23 HD21 ' A' ' 39' ' ' LEU . 33.4 tp -83.92 -43.5 15.2 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 170.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.68 76.98 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.751 0.821 . . . . 0.0 112.078 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.3 m -62.94 -29.31 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 123.384 0.673 . . . . 0.0 112.215 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.529 ' HB3' HD13 ' A' ' 28' ' ' ILE . 43.3 mt -70.06 -38.59 75.81 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 120.994 0.426 . . . . 0.0 110.517 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -79.53 -54.3 6.04 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.733 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 49.5 mt-30 -71.35 -29.53 65.08 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.568 0.747 . . . . 0.0 112.528 -169.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -86.1 -6.65 58.98 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.063 0.545 . . . . 0.0 111.294 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.46 90.17 0.23 Allowed Glycine 0 C--N 1.345 1.059 0 O-C-N 123.55 0.531 . . . . 0.0 111.87 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.84 0.83 29.34 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.13 0.972 . . . . 0.0 111.874 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.243 1.417 . . . . 0.0 109.607 -177.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.64 171.05 14.57 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.292 0.637 . . . . 0.0 112.053 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -69.49 -62.92 1.19 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.552 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.3 p -76.31 83.72 3.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 122.013 0.911 . . . . 0.0 111.251 -173.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 34.0 t30 -129.26 153.34 47.89 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 170.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -45.01 -23.22 0.13 Allowed 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 125.464 1.506 . . . . 0.0 114.469 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 90.3 mt -49.04 -57.87 5.85 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 124.397 1.079 . . . . 0.0 112.306 170.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.04 -53.83 13.29 Favored Pre-proline 0 CA--C 1.561 1.372 0 CA-C-O 116.899 -1.524 . . . . 0.0 112.329 -176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 92.1 Cg_exo -48.32 -50.1 12.88 Favored 'Trans proline' 0 C--N 1.398 3.183 0 C-N-CA 122.527 2.152 . . . . 0.0 113.684 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -35.42 92.08 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 113.499 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.71 -47.22 55.38 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 15' ' ' LEU . 6.3 m-85 -62.67 -29.59 70.75 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.905 1.282 . . . . 0.0 111.354 -176.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 13.5 mmm180 -59.55 -46.09 89.89 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.149 0.58 . . . . 0.0 110.51 173.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -76.4 -29.35 57.06 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.9 0.88 . . . . 0.0 110.966 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 12' ' ' PHE . 25.5 tp -82.72 -6.96 59.66 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 110.384 -175.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.53 5.94 87.95 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.569 176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD11 ' HH2' ' A' ' 45' ' ' TRP . 60.9 mt -98.6 -176.86 3.49 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.24 1.016 . . . . 0.0 110.571 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -83.22 129.54 35.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.598 0.759 . . . . 0.0 110.201 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.25 -0.79 37.92 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.434 0.693 . . . . 0.0 111.45 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG13 ' A' ' 24' ' ' ILE . 12.0 tp10 -68.68 115.54 31.56 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.619 1.567 . . . . 0.0 108.884 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -52.95 -34.28 66.13 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.678 2.919 . . . . 0.0 113.278 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.28 -43.59 97.51 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.711 0.804 . . . . 0.0 110.985 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.95 -26.81 43.56 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.755 0.822 . . . . 0.0 111.664 -177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 20' ' ' GLU . 78.5 mt -68.96 -54.23 21.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.782 0.833 . . . . 0.0 109.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -65.92 -28.07 68.66 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.831 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.02 -35.68 56.83 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.505 0.722 . . . . 0.0 111.59 176.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -66.97 -52.4 43.24 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.234 0.614 . . . . 0.0 110.512 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 73' ' ' LEU . 36.7 pt -66.0 -29.04 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.306 -175.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -70.99 -44.21 66.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.954 . . . . 0.0 110.812 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 t -68.5 -48.49 64.27 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.404 0.682 . . . . 0.0 110.481 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -121.07 99.01 46.9 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.408 1.083 . . . . 0.0 108.971 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -90.27 -172.5 0.56 Allowed 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.851 2.367 . . . . 0.0 111.358 171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.4 mt -132.74 154.14 81.34 Favored Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.428 1.091 . . . . 0.0 109.264 175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 33.0 Cg_exo -60.45 148.59 90.19 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 172.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 39.6 Cg_endo -63.58 -10.27 21.32 Favored 'Trans proline' 0 C--N 1.374 1.882 0 C-N-CA 122.401 2.067 . . . . 0.0 112.729 176.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -91.54 -32.26 15.61 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.995 0.918 . . . . 0.0 110.398 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 96.8 t -103.04 105.45 45.78 Favored Pre-proline 0 N--CA 1.481 1.1 0 C-N-CA 123.548 0.739 . . . . 0.0 110.706 -174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 81.7 Cg_endo -75.3 179.37 6.22 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.697 2.265 . . . . 0.0 113.671 175.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -52.68 -50.93 78.1 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-N 114.56 -1.2 . . . . 0.0 113.477 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 93.5 Cg_endo -73.21 -17.84 24.09 Favored 'Trans proline' 0 C--N 1.397 3.111 0 C-N-CA 121.805 1.67 . . . . 0.0 113.214 -177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -98.49 5.08 48.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.538 0.735 . . . . 0.0 111.204 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.95 121.88 85.87 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 123.004 0.521 . . . . 0.0 110.281 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.7 -7.38 20.89 Favored 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.742 2.294 . . . . 0.0 112.504 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.05 -27.14 68.91 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.225 1.01 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.53 ' HH2' HD11 ' A' ' 17' ' ' LEU . 39.5 m95 -95.35 160.01 14.73 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.18 0.592 . . . . 0.0 109.92 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.6 p -73.83 148.57 87.35 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 118.524 -0.751 . . . . 0.0 109.318 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.79 -21.73 64.95 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.612 2.208 . . . . 0.0 113.474 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.91 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.153 0.581 . . . . 0.0 110.334 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -65.49 -45.09 84.97 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.554 0.741 . . . . 0.0 110.655 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -65.29 -30.2 71.04 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.68 1.192 . . . . 0.0 111.36 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . . . -68.75 -39.99 80.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.22 0.608 . . . . 0.0 110.812 174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -63.91 -45.5 89.0 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.526 0.73 . . . . 0.0 110.329 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD13 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -59.72 -40.24 87.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.964 175.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -34.06 77.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.391 0.677 . . . . 0.0 110.173 -177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 51.9 mt-30 -63.5 -45.87 88.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.668 0.387 . . . . 0.0 110.356 174.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.01 -34.16 74.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.637 0.775 . . . . 0.0 112.065 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.43 -44.72 28.14 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 122.773 0.429 . . . . 0.0 111.255 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -72.13 -60.82 2.04 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 121.445 0.64 . . . . 0.0 109.573 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.63 125.89 38.5 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.178 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -67.2 89.9 0.2 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.963 0.887 . . . . 0.0 110.683 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.68 -169.66 2.75 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.177 0.991 . . . . 0.0 111.258 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.23 -37.28 77.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.583 0.753 . . . . 0.0 110.82 174.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -108.78 27.94 8.94 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.591 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -69.11 -50.85 44.35 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.468 0.307 . . . . 0.0 110.2 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -65.78 -32.72 74.42 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.132 0.973 . . . . 0.0 111.058 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -67.13 -49.98 62.96 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.492 177.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.85 -23.58 44.89 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.455 -175.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -72.72 -48.03 42.07 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.05 -42.35 94.97 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 124.812 1.32 . . . . 0.0 112.595 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.99 -49.11 71.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.818 0.447 . . . . 0.0 110.708 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.67 -46.39 84.34 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.601 0.761 . . . . 0.0 111.525 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.8 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.186 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB3' HD12 ' A' ' 28' ' ' ILE . 79.5 mt -66.18 -33.21 75.24 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.435 0.561 . . . . 0.0 111.106 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.5 mt -74.33 -44.82 50.82 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.65 0.78 . . . . 0.0 110.441 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 52.2 mt-30 -81.28 -15.33 55.81 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.648 0.779 . . . . 0.0 112.082 -175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -111.87 38.79 2.55 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.411 1.085 . . . . 0.0 109.337 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.04 -27.84 65.43 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.244 171.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -115.65 95.33 5.09 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 123.917 0.887 . . . . 0.0 109.34 179.382 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.59 -177.9 3.89 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.743 0.817 . . . . 0.0 110.665 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 ' HA ' HD22 ' A' ' 8' ' ' LEU . 4.0 m -79.23 -40.71 29.97 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.883 0.473 . . . . 0.0 111.391 -173.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -73.52 97.73 2.65 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.5 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.539 HD21 HD13 ' A' ' 8' ' ' LEU . 6.6 p30 -175.53 -176.93 0.93 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.848 1.259 . . . . 0.0 109.396 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -103.17 -6.63 21.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.315 0.646 . . . . 0.0 111.766 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 69.6 mt -70.49 -44.9 66.7 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.371 0.668 . . . . 0.0 110.719 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD13 HD21 ' A' ' 5' ' ' ASN . 10.6 mp -62.45 -53.45 57.53 Favored Pre-proline 0 CA--C 1.564 1.503 0 CA-C-O 117.395 -1.288 . . . . 0.0 111.962 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 18.1 Cg_exo -37.82 -57.65 0.75 Allowed 'Trans proline' 0 C--N 1.393 2.895 0 C-N-CA 123.511 2.807 . . . . 0.0 114.802 174.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.64 -32.93 85.82 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 123.366 0.416 . . . . 0.0 113.754 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 HD12 ' A' ' 70' ' ' LEU . 1.2 tt -72.51 -43.74 63.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.64 0.776 . . . . 0.0 110.126 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 9.2 m-85 -66.17 -35.77 81.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.394 0.677 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 79.1 mtp85 -58.78 -47.43 84.74 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.232 0.613 . . . . 0.0 112.154 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.93 -22.4 61.47 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.901 0.48 . . . . 0.0 111.657 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -87.85 7.23 31.63 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.525 0.73 . . . . 0.0 111.19 174.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.03 34.47 55.53 Favored Glycine 0 C--N 1.356 1.659 0 O-C-N 123.082 0.239 . . . . 0.0 113.41 175.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.4 mt -127.68 158.91 36.31 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.492 1.117 . . . . 0.0 110.435 -173.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -66.25 133.91 51.58 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.154 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 4.8 p-10 -87.95 1.77 53.29 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.797 0.839 . . . . 0.0 111.74 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 38.3 mt-10 -76.14 117.48 64.36 Favored Pre-proline 0 N--CA 1.465 0.311 0 C-N-CA 124.275 1.03 . . . . 0.0 109.587 178.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 11.5 Cg_endo -49.61 -32.61 28.5 Favored 'Trans proline' 0 C--N 1.383 2.361 0 C-N-CA 124.305 3.337 . . . . 0.0 113.86 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.78 99.49 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.94 -33.83 45.01 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 51.5 mt -62.96 -50.24 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.446 1.098 . . . . 0.0 110.74 -178.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -65.27 -29.18 69.92 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.685 0.615 . . . . 0.0 110.606 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.16 -38.16 72.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.105 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.51 -59.81 4.16 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 121.081 0.467 . . . . 0.0 110.668 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 73' ' ' LEU . 21.8 pt -63.29 -30.27 49.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.563 -173.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.29 -45.47 17.82 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.158 0.583 . . . . 0.0 111.565 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 t -68.17 -36.5 79.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.072 0.549 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -134.63 78.49 55.81 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.465 0.706 . . . . 0.0 109.33 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -87.03 -173.55 1.14 Allowed 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 122.892 2.395 . . . . 0.0 112.303 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -113.15 158.65 37.46 Favored Pre-proline 0 C--O 1.245 0.82 0 C-N-CA 124.074 0.949 . . . . 0.0 111.008 177.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.19 152.22 77.41 Favored 'Trans proline' 0 C--N 1.377 2.069 0 C-N-CA 122.739 2.292 . . . . 0.0 110.986 165.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.41 -3.62 7.96 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.951 2.434 . . . . 0.0 113.773 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -33.67 11.46 Favored 'General case' 0 C--O 1.241 0.612 0 C-N-CA 123.179 0.592 . . . . 0.0 110.515 176.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.03 117.0 67.55 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 122.735 0.414 . . . . 0.0 110.97 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -80.85 176.24 9.19 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.747 2.298 . . . . 0.0 112.32 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' ' 53' ' ' LEU . 59.6 tp -55.96 -51.87 77.04 Favored Pre-proline 0 CA--C 1.569 1.675 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -64.34 -27.58 63.33 Favored 'Trans proline' 0 C--N 1.4 3.237 0 C-N-CA 121.969 1.78 . . . . 0.0 112.904 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -92.19 11.05 26.94 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.901 -173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -75.42 121.61 85.53 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 119.19 -0.434 . . . . 0.0 110.005 173.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.78 -10.93 30.39 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.811 2.341 . . . . 0.0 112.415 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -63.04 -41.69 99.56 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.552 1.141 . . . . 0.0 111.211 177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 39.2 m95 -78.17 158.73 28.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.625 0.37 . . . . 0.0 110.286 -179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.0 p -76.73 149.58 80.84 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.476 0.71 . . . . 0.0 110.042 172.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -59.7 -31.78 94.71 Favored 'Trans proline' 0 C--N 1.383 2.378 0 C-N-CA 123.11 2.54 . . . . 0.0 113.749 -173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.9 75.95 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.005 0.522 . . . . 0.0 110.471 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.36 -33.61 69.72 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.864 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.15 -27.21 67.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.057 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.74 -35.32 67.5 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.691 0.797 . . . . 0.0 111.388 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -68.67 -39.9 80.38 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.619 0.767 . . . . 0.0 110.449 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 39' ' ' LEU . 71.7 mt -71.75 -32.56 67.83 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.146 175.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -62.61 -50.57 70.72 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.569 0.747 . . . . 0.0 110.612 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.61 -28.08 67.45 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.552 0.533 . . . . 0.0 111.585 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.47 -36.04 80.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.18 0.592 . . . . 0.0 111.253 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -91.15 -22.44 20.67 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 122.974 0.51 . . . . 0.0 111.622 177.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.14 -39.62 60.32 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.192 0.597 . . . . 0.0 110.422 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -136.21 139.24 42.64 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.071 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.54 128.34 35.74 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.372 1.069 . . . . 0.0 111.234 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.55 170.27 20.59 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.51 0.724 . . . . 0.0 110.192 -174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -20.02 62.6 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -98.42 -7.74 28.11 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.01 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.6 p -60.55 -40.2 90.74 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.927 0.785 . . . . 0.0 112.376 -171.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -65.17 -54.88 22.91 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.454 0.702 . . . . 0.0 111.021 175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -60.26 -36.64 78.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.772 0.829 . . . . 0.0 111.931 -176.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.54 -37.48 60.01 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.025 0.93 . . . . 0.0 110.982 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.0 -35.03 77.65 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.252 173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.13 -40.08 88.26 Favored Glycine 0 C--N 1.344 1.015 0 CA-C-N 115.346 -0.843 . . . . 0.0 112.529 175.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.61 -40.39 95.42 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.52 -50.88 71.79 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.918 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -65.9 -32.41 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.335 0.254 . . . . 0.0 111.585 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 28' ' ' ILE . 65.5 mt -71.19 -33.24 69.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.85 0.86 . . . . 0.0 111.696 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.96 -40.13 72.14 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 123.543 0.527 . . . . 0.0 110.039 172.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -77.97 2.97 15.89 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.839 0.456 . . . . 0.0 111.863 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 19.4 pt20 -131.43 -177.99 4.65 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.206 1.002 . . . . 0.0 109.564 172.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.9 155.75 19.66 Favored Glycine 0 C--N 1.345 1.076 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 167.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.56 146.75 41.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 117.55 0.675 . . . . 0.0 109.703 -177.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.309 0 CA-C-O 118.482 -0.771 . . . . 0.0 110.181 178.088 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' HD23 ' A' ' 73' ' ' LEU . 23.2 mmt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -119.22 148.69 42.84 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.509 1.123 . . . . 0.0 110.304 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 28' ' ' ILE . 32.4 p -63.04 105.75 0.74 Allowed 'General case' 0 C--N 1.353 0.718 0 C-N-CA 123.316 0.647 . . . . 0.0 110.749 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB2' HD13 ' A' ' 8' ' ' LEU . 20.2 m -73.2 89.35 1.53 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.544 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -88.14 16.08 6.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.812 0.845 . . . . 0.0 112.518 -170.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -104.24 -26.86 12.34 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.396 0.678 . . . . 0.0 109.918 163.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.661 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 86.6 mt -93.02 -57.22 2.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.615 0.766 . . . . 0.0 111.622 -174.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 10.8 mp -62.98 -49.05 83.49 Favored Pre-proline 0 CA--C 1.561 1.377 0 CA-C-O 117.334 -1.317 . . . . 0.0 113.627 -172.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 8' ' ' LEU . 12.5 Cg_endo -51.41 -52.06 9.84 Favored 'Trans proline' 0 C--N 1.389 2.668 0 C-N-CA 123.138 2.559 . . . . 0.0 113.778 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.88 -45.93 92.91 Favored Glycine 0 C--N 1.346 1.118 0 O-C-N 123.656 0.598 . . . . 0.0 112.339 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 57.7 tp -60.42 -42.11 95.36 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.768 0.827 . . . . 0.0 111.417 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.99 -37.2 83.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.478 1.111 . . . . 0.0 110.656 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -67.38 -30.17 69.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.707 0.403 . . . . 0.0 111.261 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.83 -22.77 55.95 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.161 0.584 . . . . 0.0 110.081 176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 67.2 mt -93.74 -16.14 24.49 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.992 0.917 . . . . 0.0 110.79 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.62 -10.04 45.25 Favored Glycine 0 C--N 1.354 1.57 0 C-N-CA 123.255 0.455 . . . . 0.0 113.562 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD11 ' HE2' ' A' ' 44' ' ' PHE . 53.9 mt -80.38 -174.12 4.42 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.015 0.926 . . . . 0.0 112.383 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -88.69 145.19 25.8 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.452 1.101 . . . . 0.0 111.236 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -91.63 -6.47 52.15 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.097 0.959 . . . . 0.0 111.655 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -75.67 122.94 88.12 Favored Pre-proline 0 N--CA 1.472 0.639 0 CA-C-O 118.573 -0.727 . . . . 0.0 110.107 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.48 -34.93 83.78 Favored 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.813 3.008 . . . . 0.0 113.446 -175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.49 -35.84 82.09 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.474 0.71 . . . . 0.0 111.341 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -35.09 32.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.705 0.802 . . . . 0.0 111.191 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.85 -51.81 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 124.195 0.998 . . . . 0.0 110.461 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.03 -31.15 70.79 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.109 0.881 . . . . 0.0 110.288 178.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.91 73.97 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.389 0.675 . . . . 0.0 111.088 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -60.83 -48.22 82.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.264 0.626 . . . . 0.0 110.897 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 3' ' ' THR . 24.9 pt -79.3 -28.45 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.0 -42.26 24.24 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.993 0.517 . . . . 0.0 110.811 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -75.58 -33.63 60.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.332 0.653 . . . . 0.0 110.552 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -128.47 78.88 75.12 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.703 0.801 . . . . 0.0 109.457 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -75.28 -156.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.827 2.351 . . . . 0.0 110.506 168.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.2 mt -138.86 149.83 63.28 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 124.186 0.994 . . . . 0.0 109.778 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 35.7 Cg_exo -63.95 154.2 71.43 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.831 2.354 . . . . 0.0 110.696 168.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -65.5 -9.79 23.79 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.777 2.318 . . . . 0.0 113.77 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -110.29 -5.64 15.21 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 179.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.4 t -101.16 109.08 57.52 Favored Pre-proline 0 N--CA 1.482 1.162 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 73.8 Cg_endo -72.91 169.07 23.03 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.194 1.93 . . . . 0.0 112.197 173.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD23 HD21 ' A' ' 57' ' ' LEU . 66.2 tp -50.34 -53.97 39.36 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.04 -27.16 57.74 Favored 'Trans proline' 0 C--N 1.393 2.882 0 C-N-CA 122.124 1.882 . . . . 0.0 113.214 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 15.7 mm-40 -87.75 4.78 42.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.252 0.621 . . . . 0.0 111.625 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -70.48 126.47 92.29 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 122.652 0.381 . . . . 0.0 109.997 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.65 5.91 2.64 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.871 2.381 . . . . 0.0 112.736 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' HE2' HD11 ' A' ' 17' ' ' LEU . 50.0 t80 -75.8 -28.45 58.34 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.249 1.02 . . . . 0.0 110.646 172.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 37.2 m95 -94.14 155.5 17.04 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.089 0.555 . . . . 0.0 110.479 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.9 p -74.43 160.05 82.14 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.325 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -60.77 -28.06 85.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.255 1.97 . . . . 0.0 112.708 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -50.83 37.55 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.317 0.647 . . . . 0.0 110.383 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.16 -24.67 65.91 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.566 0.746 . . . . 0.0 111.729 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.53 -47.0 65.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.558 0.743 . . . . 0.0 110.048 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -35.93 81.29 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.282 0.633 . . . . 0.0 111.057 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.52 -51.18 70.94 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 125.027 1.331 . . . . 0.0 110.952 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.85 -27.89 61.32 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.22 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.98 -44.67 95.4 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.102 0.561 . . . . 0.0 110.831 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -63.57 -29.27 70.55 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.699 0.799 . . . . 0.0 111.191 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.8 -30.9 35.86 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.91 0.884 . . . . 0.0 111.882 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD21 HD23 ' A' ' 39' ' ' LEU . 4.1 mm? -91.9 -19.04 22.89 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 122.983 0.513 . . . . 0.0 111.992 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -90.53 -39.27 12.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.898 0.479 . . . . 0.0 109.724 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.9 m -144.27 -179.73 6.71 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.262 0.625 . . . . 0.0 110.978 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -76.62 90.15 3.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.404 0.681 . . . . 0.0 109.978 175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.45 -174.16 3.61 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.464 0.706 . . . . 0.0 109.903 168.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.82 -30.27 68.78 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.214 0.606 . . . . 0.0 110.622 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -114.85 27.25 9.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.106 0.962 . . . . 0.0 109.816 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -59.99 -49.81 76.2 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.441 0.696 . . . . 0.0 111.353 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.92 -39.26 87.33 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.567 0.747 . . . . 0.0 110.902 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.661 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.02 -39.86 79.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.242 0.544 . . . . 0.0 111.965 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.55 -32.84 48.05 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.622 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.87 -40.88 95.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.449 0.7 . . . . 0.0 110.132 172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.24 -24.57 75.18 Favored Glycine 0 C--N 1.346 1.101 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.856 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 tp -79.38 -38.56 34.67 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.077 0.551 . . . . 0.0 110.07 172.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -44.99 96.36 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.707 0.803 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.53 -27.07 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.797 0.439 . . . . 0.0 112.073 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 1' ' ' MET . 98.5 mt -80.07 -30.04 39.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.038 0.535 . . . . 0.0 111.996 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 39' ' ' LEU . 77.6 mt -84.69 -55.69 3.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.048 0.452 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.88 -30.42 68.92 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.075 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -111.03 28.91 8.27 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.809 0.844 . . . . 0.0 109.473 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.31 146.45 48.15 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 115.909 -0.587 . . . . 0.0 113.237 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -62.43 126.28 26.79 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.007 0.923 . . . . 0.0 111.32 -174.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 C-N-CA 124.297 1.039 . . . . 0.0 108.958 -176.317 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.56 -179.04 7.0 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.337 1.055 . . . . 0.0 110.185 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.454 ' HA ' HD11 ' A' ' 73' ' ' LEU . 5.2 t -57.0 92.06 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 122.226 1.012 . . . . 0.0 111.75 176.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB3' HD13 ' A' ' 7' ' ' LEU . 20.3 m -72.62 100.42 2.78 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.471 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -72.29 5.67 2.73 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.397 0.679 . . . . 0.0 112.202 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' HD12 ' A' ' 7' ' ' LEU . 26.1 m170 -101.61 -45.42 5.27 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.323 0.649 . . . . 0.0 110.256 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 6' ' ' HIS . 6.5 mp -85.48 -46.01 11.28 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.972 0.509 . . . . 0.0 111.559 -171.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.88 -40.3 37.62 Favored Pre-proline 0 CA--C 1.565 1.549 0 CA-C-O 117.92 -1.038 . . . . 0.0 113.764 -174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.47 -39.2 36.34 Favored 'Trans proline' 0 C--N 1.396 3.031 0 C-N-CA 122.508 2.139 . . . . 0.0 113.745 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.73 -49.0 52.5 Favored Glycine 0 CA--C 1.528 0.876 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.462 176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tt -68.69 -52.37 31.69 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.61 0.764 . . . . 0.0 110.952 -172.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -56.48 -38.04 71.17 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.455 1.102 . . . . 0.0 112.189 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -64.03 -37.31 86.97 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -73.18 -24.76 60.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.195 0.598 . . . . 0.0 111.293 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -82.0 -7.47 59.61 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.562 0.745 . . . . 0.0 111.259 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.15 -0.45 85.87 Favored Glycine 0 C--N 1.352 1.462 0 O-C-N 123.434 0.459 . . . . 0.0 113.219 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.05 164.77 20.11 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 123.964 0.906 . . . . 0.0 110.607 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -65.88 125.86 26.71 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.738 0.649 . . . . 0.0 109.869 178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -76.94 -2.24 32.66 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.809 1.244 . . . . 0.0 112.433 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 43.8 mt-10 -82.05 124.27 79.0 Favored Pre-proline 0 CA--C 1.537 0.462 0 C-N-CA 123.9 0.88 . . . . 0.0 109.949 -174.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 8.1 Cg_endo -44.64 -36.08 9.88 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 124.753 3.635 . . . . 0.0 114.396 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.46 99.37 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.793 0.837 . . . . 0.0 111.491 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.2 -31.99 33.7 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.205 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.5 mt -63.53 -47.03 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.212 1.005 . . . . 0.0 110.788 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -65.38 -27.26 68.43 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.201 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.43 -31.57 54.07 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.415 0.686 . . . . 0.0 111.668 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.95 -43.34 62.43 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 122.948 0.499 . . . . 0.0 111.315 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.501 HD12 ' HB3' ' A' ' 73' ' ' LEU . 34.5 pt -69.94 -30.21 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 120.999 0.428 . . . . 0.0 110.806 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.79 -32.93 60.09 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.945 0.898 . . . . 0.0 110.362 174.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -64.31 -45.71 86.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.449 0.699 . . . . 0.0 111.274 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -138.79 83.6 19.01 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 122.901 0.48 . . . . 0.0 109.941 -179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.12 145.69 35.52 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 123.037 2.492 . . . . 0.0 110.722 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 42' ' ' ALA . 89.7 mt -95.73 157.58 35.76 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 123.521 0.729 . . . . 0.0 111.55 -178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.633 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 22.8 Cg_exo -67.63 155.71 68.99 Favored 'Trans proline' 0 C--N 1.372 1.775 0 C-N-CA 123.165 2.577 . . . . 0.0 111.296 163.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -62.44 -21.69 73.08 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.769 2.313 . . . . 0.0 112.875 174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.633 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.9 ptt180 -84.26 -21.75 31.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.118 0.967 . . . . 0.0 112.228 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 60.3 t -106.71 101.79 38.46 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.81 177.21 9.01 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.41 2.073 . . . . 0.0 113.27 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 57' ' ' LEU . 58.5 tp -52.97 -53.64 52.91 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 124.087 0.955 . . . . 0.0 113.404 -174.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 84.9 Cg_endo -75.89 -4.44 15.18 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.165 1.91 . . . . 0.0 113.103 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -107.88 7.41 28.07 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.343 0.657 . . . . 0.0 111.564 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -72.97 118.05 65.07 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.1 -15.94 19.59 Favored 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.299 2.666 . . . . 0.0 113.383 173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.58 -33.27 73.58 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.199 0.999 . . . . 0.0 111.423 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 31.1 m95 -88.16 152.13 22.21 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.832 0.453 . . . . 0.0 110.05 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 p -72.09 153.15 92.69 Favored Pre-proline 0 CA--C 1.549 0.906 0 O-C-N 123.896 0.748 . . . . 0.0 109.296 174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -61.6 -18.7 61.47 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.336 2.024 . . . . 0.0 113.655 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.96 -55.13 6.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.227 0.611 . . . . 0.0 110.733 173.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 87.2 mm-40 -63.53 -36.73 84.75 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.461 0.704 . . . . 0.0 111.033 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 40' ' ' PRO . . . -66.18 -44.11 84.94 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.195 0.998 . . . . 0.0 111.067 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -28.95 68.45 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.003 0.521 . . . . 0.0 111.494 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -73.47 -40.53 64.07 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.188 0.595 . . . . 0.0 110.215 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.448 HD21 HD21 ' A' ' 11' ' ' LEU . 96.3 mt -68.57 -31.17 70.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.032 0.533 . . . . 0.0 110.417 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -59.32 -30.57 68.45 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 123.261 0.625 . . . . 0.0 111.106 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -69.51 -31.12 69.17 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.155 0.582 . . . . 0.0 111.129 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 -31.77 25.0 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.92 0.888 . . . . 0.0 112.593 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.546 HD21 HD23 ' A' ' 39' ' ' LEU . 3.6 mm? -90.46 -51.15 5.55 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 122.804 0.442 . . . . 0.0 111.724 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -81.13 -12.03 59.33 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 122.564 0.346 . . . . 0.0 111.824 -175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.1 m -140.83 175.98 9.17 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.107 0.963 . . . . 0.0 110.341 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -84.07 143.18 29.89 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 110.114 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -158.11 174.01 15.86 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.233 0.613 . . . . 0.0 111.067 -177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.4 -22.45 62.74 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.203 0.601 . . . . 0.0 109.833 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -102.18 25.79 8.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.848 0.859 . . . . 0.0 110.717 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.6 t -65.98 -52.13 52.23 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.84 0.456 . . . . 0.0 110.912 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -77.09 -30.53 55.42 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.493 0.717 . . . . 0.0 110.38 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.99 -46.23 88.65 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.441 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.57 -28.37 45.92 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.478 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.97 -52.0 64.7 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.533 0.733 . . . . 0.0 109.956 173.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -60.34 -47.41 91.22 Favored Glycine 0 C--N 1.343 0.956 0 O-C-N 124.18 0.925 . . . . 0.0 112.098 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -56.8 -43.69 81.2 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.574 0.75 . . . . 0.0 109.969 177.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.57 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.707 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -69.13 -34.73 64.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 122.183 0.193 . . . . 0.0 111.43 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' HD12 ' A' ' 28' ' ' ILE . 82.7 mt -63.78 -28.79 70.11 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.218 0.607 . . . . 0.0 111.278 177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.1 -52.79 6.0 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.322 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -73.2 -17.66 61.34 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.272 0.629 . . . . 0.0 112.461 -168.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -85.59 112.66 21.17 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 122.828 0.451 . . . . 0.0 109.807 172.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.26 6.13 65.86 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.92 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.27 128.91 37.86 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.11 0.564 . . . . 0.0 109.849 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.189 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 110.564 -0.162 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -101.45 125.85 48.15 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.782 0.833 . . . . 0.0 110.731 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.562 HG22 HD13 ' A' ' 73' ' ' LEU . 59.6 p -81.11 75.67 8.08 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.775 0.83 . . . . 0.0 109.378 175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -149.05 98.1 2.78 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.634 -174.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 8' ' ' LEU . 49.9 t-20 -165.64 129.53 2.25 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -67.07 -18.64 65.43 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.43 0.692 . . . . 0.0 111.941 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 10.5 mp -65.84 -29.74 70.25 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 123.508 0.723 . . . . 0.0 111.255 173.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 5' ' ' ASN . 7.6 mp -63.98 -55.8 29.71 Favored Pre-proline 0 CA--C 1.571 1.784 0 CA-C-O 117.53 -1.224 . . . . 0.0 112.222 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -50.29 -47.46 24.13 Favored 'Trans proline' 0 C--N 1.399 3.198 0 C-N-CA 122.619 2.213 . . . . 0.0 113.585 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -38.63 96.71 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 123.555 0.534 . . . . 0.0 113.139 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 70' ' ' LEU . 33.8 tp -77.21 -55.83 5.09 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 122.955 0.502 . . . . 0.0 111.119 -176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -53.31 -39.48 64.07 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 123.576 0.75 . . . . 0.0 111.716 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 19' ' ' ASP . 42.9 ttm180 -57.67 -49.52 76.23 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.425 0.69 . . . . 0.0 111.147 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -77.91 -14.13 59.65 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.908 0.483 . . . . 0.0 111.987 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 HD21 ' A' ' 53' ' ' LEU . 94.9 mt -87.62 5.8 37.74 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.162 0.585 . . . . 0.0 111.087 175.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.32 1.36 81.47 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 123.229 0.331 . . . . 0.0 113.4 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.0 mt -99.84 178.42 4.83 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.045 0.938 . . . . 0.0 110.351 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -82.6 145.41 29.71 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.195 0.598 . . . . 0.0 110.304 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 13' ' ' ARG . 7.1 p-10 -92.93 7.5 43.72 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.505 0.722 . . . . 0.0 111.417 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -77.4 124.0 86.88 Favored Pre-proline 0 C--O 1.219 -0.545 0 C-N-CA 124.265 1.026 . . . . 0.0 109.484 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -50.51 -37.89 52.98 Favored 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 124.052 3.168 . . . . 0.0 114.017 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.21 -40.27 67.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.977 0.511 . . . . 0.0 111.181 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -42.7 84.71 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.785 0.434 . . . . 0.0 110.53 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.9 mt -53.33 -50.55 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.237 1.415 . . . . 0.0 110.523 176.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -71.0 -29.78 65.83 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.95 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.01 76.39 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.227 0.611 . . . . 0.0 111.901 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -61.66 -46.99 87.39 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.459 0.647 . . . . 0.0 110.664 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.1 pt -78.7 -27.19 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.831 -175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.98 -45.12 62.14 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.462 0.705 . . . . 0.0 110.109 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -69.91 -26.21 64.05 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.807 -175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -139.57 92.71 10.12 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 123.201 0.601 . . . . 0.0 109.615 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HG3' ' HB3' ' A' ' 79' ' ' ALA . 97.5 Cg_endo -76.56 167.01 26.34 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.441 2.094 . . . . 0.0 111.556 170.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 74' ' ' LEU . 91.5 mt -112.08 146.52 35.0 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 123.188 0.595 . . . . 0.0 110.3 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 39.7 Cg_exo -63.3 151.94 82.37 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.688 2.259 . . . . 0.0 111.475 171.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -74.46 14.97 0.69 Allowed 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.797 2.331 . . . . 0.0 113.576 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -13.57 7.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.767 0.827 . . . . 0.0 111.043 171.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 64.9 t -97.17 108.61 45.19 Favored Pre-proline 0 C--N 1.356 0.875 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.88 173.72 13.98 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.239 1.959 . . . . 0.0 112.27 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 21.8 tp -61.01 -47.51 95.2 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -173.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.44 -14.11 36.57 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.71 1.607 . . . . 0.0 112.798 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -98.74 -2.69 37.49 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.916 0.887 . . . . 0.0 111.405 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -77.19 118.97 75.5 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 123.239 0.615 . . . . 0.0 109.977 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.79 1.3 7.77 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.52 -37.94 82.8 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 124.397 1.079 . . . . 0.0 110.029 168.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.437 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 53.4 m95 -90.98 145.74 24.45 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.594 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.2 p -66.17 139.04 96.3 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 123.472 0.709 . . . . 0.0 109.399 174.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -52.48 -38.4 74.46 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.691 2.928 . . . . 0.0 114.72 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.07 83.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.033 0.533 . . . . 0.0 111.217 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.4 mp0 -72.46 -26.71 61.92 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.958 0.903 . . . . 0.0 110.844 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.12 -37.24 64.17 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.418 0.687 . . . . 0.0 110.225 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.07 69.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.558 0.743 . . . . 0.0 110.636 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.36 -43.1 82.31 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.327 1.051 . . . . 0.0 110.694 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD21 HD11 ' A' ' 15' ' ' LEU . 92.1 mt -65.47 -37.63 87.4 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.204 176.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -55.8 -37.86 69.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.274 1.03 . . . . 0.0 111.668 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -60.95 -34.79 75.27 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.417 0.687 . . . . 0.0 111.077 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.47 -31.44 29.38 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.211 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.4 mm? -76.12 -46.89 26.57 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 117.803 0.274 . . . . 0.0 111.627 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -80.07 -45.88 17.5 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.542 0.337 . . . . 0.0 111.032 -174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.8 m -103.57 153.19 20.85 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.996 0.518 . . . . 0.0 111.171 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -71.61 88.42 0.95 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.828 0.851 . . . . 0.0 109.532 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -102.67 175.06 5.62 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.805 0.842 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -76.34 -20.61 57.07 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.503 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -98.32 12.21 35.52 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.339 0.656 . . . . 0.0 109.966 175.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 18.9 t -64.45 -49.51 71.17 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.199 0.454 . . . . 0.0 111.171 -171.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.78 -24.09 55.95 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.408 0.683 . . . . 0.0 110.569 177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -65.45 -46.98 77.74 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.859 0.464 . . . . 0.0 110.232 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 39' ' ' LEU . . . -80.63 -43.4 20.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.367 1.067 . . . . 0.0 111.314 -174.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.03 -40.69 68.25 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.873 0.368 . . . . 0.0 110.249 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.04 -24.2 73.11 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.767 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 11' ' ' LEU . 3.5 tt -71.66 -52.78 16.16 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -57.38 -40.9 79.13 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.499 1.12 . . . . 0.0 112.616 -171.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.74 -34.73 67.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 123.473 0.483 . . . . 0.0 111.694 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 HD13 HG22 ' A' ' 3' ' ' THR . 71.5 mt -64.72 -34.27 77.92 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.459 0.704 . . . . 0.0 111.366 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 3.5 mm? -73.56 -42.51 61.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.571 1.148 . . . . 0.0 110.731 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -76.92 -23.23 52.49 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.886 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -96.68 12.24 32.54 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.965 0.906 . . . . 0.0 110.817 174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.92 124.2 31.66 Favored Glycine 0 C--N 1.352 1.472 0 O-C-N 123.767 0.667 . . . . 0.0 112.445 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.1 -23.91 62.5 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.764 0.826 . . . . 0.0 112.568 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.15 0.98 . . . . 0.0 110.356 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.48 88.33 1.22 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.538 0.735 . . . . 0.0 109.258 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 p -107.64 -80.59 0.57 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.029 0.532 . . . . 0.0 111.476 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 8' ' ' LEU . 24.9 t -81.98 90.04 6.45 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.159 0.504 . . . . 0.0 111.002 -169.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -77.27 169.93 17.44 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.781 167.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -49.84 -32.71 14.88 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 123.375 0.67 . . . . 0.0 112.133 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.87 -46.75 87.05 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.857 1.263 . . . . 0.0 113.267 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 4' ' ' SER . 60.8 mt -69.46 -43.55 23.22 Favored Pre-proline 0 CA--C 1.568 1.656 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -169.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.42 -40.54 36.45 Favored 'Trans proline' 0 C--N 1.389 2.682 0 C-N-CA 122.779 2.319 . . . . 0.0 113.581 170.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.82 -45.15 35.3 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.574 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD11 HD11 ' A' ' 53' ' ' LEU . 48.5 tp -63.04 -54.38 39.02 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.99 0.916 . . . . 0.0 111.353 -176.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -58.81 -34.32 71.38 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.015 0.926 . . . . 0.0 111.705 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -65.04 -35.17 80.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.046 0.538 . . . . 0.0 110.713 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 71.3 mm-40 -72.09 -34.48 68.69 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.898 0.479 . . . . 0.0 110.343 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 49' ' ' GLN . 9.7 mp -78.93 2.85 18.82 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.862 0.865 . . . . 0.0 111.429 176.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.02 6.57 79.63 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 123.317 0.484 . . . . 0.0 113.739 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -87.41 178.16 6.9 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 124.647 1.179 . . . . 0.0 110.65 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -70.52 122.22 19.29 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.933 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.54 -5.95 57.5 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.163 0.985 . . . . 0.0 111.829 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.21 130.47 84.53 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.581 . . . . 0.0 110.691 -174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.82 -39.18 91.12 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.758 2.972 . . . . 0.0 113.148 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.27 -35.74 78.35 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.331 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.51 -43.34 60.28 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.387 0.675 . . . . 0.0 111.088 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -61.07 -52.35 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 124.429 1.092 . . . . 0.0 111.09 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -62.37 -30.09 70.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.345 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.75 -35.25 51.96 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.493 0.717 . . . . 0.0 111.783 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.76 -50.18 72.07 Favored 'General case' 0 N--CA 1.492 1.636 0 CA-C-O 121.335 0.588 . . . . 0.0 110.55 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.2 pt -73.16 -28.38 25.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 114.367 -1.288 . . . . 0.0 112.165 -174.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -78.45 -46.41 19.82 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.329 0.652 . . . . 0.0 110.564 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.6 t -74.89 -33.54 62.06 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.758 0.823 . . . . 0.0 111.069 -175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -131.36 87.16 47.99 Favored Pre-proline 0 N--CA 1.472 0.646 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -79.33 -166.48 0.41 Allowed 'Trans proline' 0 C--N 1.372 1.815 0 C-N-CA 123.025 2.483 . . . . 0.0 112.336 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.52 153.85 72.61 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 124.003 0.921 . . . . 0.0 109.977 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 5.1 Cg_exo -75.93 149.78 33.45 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.745 2.297 . . . . 0.0 111.052 171.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -56.22 -27.19 64.91 Favored 'Trans proline' 0 C--N 1.37 1.689 0 C-N-CA 123.168 2.579 . . . . 0.0 113.802 172.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 34' ' ' PRO . 5.5 ptt180 -80.04 -25.96 39.95 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.763 0.825 . . . . 0.0 112.375 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.1 101.78 53.88 Favored Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -71.35 174.35 10.95 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.375 2.05 . . . . 0.0 112.943 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' HD23 ' A' ' 53' ' ' LEU . 66.7 tp -55.23 -52.09 74.33 Favored Pre-proline 0 CA--C 1.564 1.485 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -175.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.01 -23.23 54.17 Favored 'Trans proline' 0 C--N 1.388 2.631 0 C-N-CA 121.994 1.796 . . . . 0.0 112.432 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -94.91 -0.95 53.5 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.885 0.874 . . . . 0.0 111.348 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.05 121.79 79.74 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 122.632 0.373 . . . . 0.0 110.815 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.33 -5.95 17.76 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 123.115 2.544 . . . . 0.0 112.536 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -66.5 -19.8 65.88 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.595 1.158 . . . . 0.0 111.472 175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -100.33 158.26 16.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.246 0.618 . . . . 0.0 109.987 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 p -83.45 150.19 59.6 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 123.927 0.891 . . . . 0.0 109.375 173.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -53.69 -45.4 41.28 Favored 'Trans proline' 0 C--N 1.383 2.368 0 C-N-CA 123.548 2.832 . . . . 0.0 115.075 -165.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -34.71 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.257 0.551 . . . . 0.0 111.763 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.516 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . 1.8 mp0 -76.88 -32.06 57.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.393 1.077 . . . . 0.0 110.05 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.89 -24.53 55.64 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.053 0.941 . . . . 0.0 110.348 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -71.98 -32.87 67.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.72 0.808 . . . . 0.0 111.447 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.9 -43.6 87.73 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HG ' ' A' ' 39' ' ' LEU . 8.0 mp -67.85 -29.98 69.25 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.85 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 7.8 tpm_? -62.48 -51.99 65.28 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.312 0.645 . . . . 0.0 109.932 178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 62.1 mm-40 -71.11 -23.26 62.07 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.283 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.43 67.52 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.867 0.867 . . . . 0.0 111.682 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -91.98 -10.37 39.59 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.219 0.607 . . . . 0.0 111.921 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 54' ' ' ARG . 17.9 mm-40 -92.12 -38.46 12.16 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.754 0.422 . . . . 0.0 111.395 176.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 85.9 m -147.83 176.05 10.45 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 110.126 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.9 86.74 2.86 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -89.05 178.03 6.49 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.468 171.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.2 -18.51 65.37 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.686 0.395 . . . . 0.0 111.26 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 65.2 m95 -116.26 20.74 14.1 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 123.861 0.864 . . . . 0.0 111.424 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 32.5 t -64.3 -51.47 63.33 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.184 0.447 . . . . 0.0 110.915 -176.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -69.9 -38.85 76.44 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.579 0.751 . . . . 0.0 110.858 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.25 94.21 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.738 0.815 . . . . 0.0 111.358 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.99 -25.2 40.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.347 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -65.25 -47.82 75.44 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 121.243 0.544 . . . . 0.0 109.733 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.85 -44.05 81.11 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.399 175.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.92 -33.71 75.91 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.57 0.348 . . . . 0.0 110.997 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.0 74.47 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.35 0.66 . . . . 0.0 110.954 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.51 -24.88 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 69' ' ' GLY . 93.2 mt -70.81 -40.98 72.16 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.832 0.453 . . . . 0.0 111.344 176.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 39' ' ' LEU . 28.5 mt -85.23 -53.6 5.14 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.567 0.747 . . . . 0.0 112.701 -174.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.55 -18.19 63.63 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.759 0.824 . . . . 0.0 112.513 -170.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -96.99 17.79 16.16 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.933 0.893 . . . . 0.0 111.158 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.9 -54.93 33.9 Favored Glycine 0 C--N 1.354 1.548 0 C-N-CA 123.671 0.653 . . . . 0.0 113.905 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -139.54 112.46 8.01 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 172.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 C-N-CA 124.167 0.987 . . . . 0.0 109.619 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -130.87 -170.68 2.4 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 124.299 1.04 . . . . 0.0 109.54 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.469 HG21 HG22 ' A' ' 24' ' ' ILE . 41.2 p -90.95 -170.71 2.76 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.774 0.83 . . . . 0.0 110.453 173.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HB3' HD13 ' A' ' 8' ' ' LEU . 32.6 t -71.04 174.39 6.31 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.194 0.597 . . . . 0.0 111.065 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -74.07 -158.28 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.841 1.257 . . . . 0.0 111.485 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -50.28 -18.15 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.354 1.462 . . . . 0.0 114.698 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.8 mt -49.75 -54.79 16.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.443 1.097 . . . . 0.0 112.112 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.519 HD13 ' HB3' ' A' ' 4' ' ' SER . 7.2 mp -68.3 -50.92 26.79 Favored Pre-proline 0 CA--C 1.562 1.412 0 CA-C-O 117.517 -1.23 . . . . 0.0 112.607 -176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -43.7 -43.86 11.48 Favored 'Trans proline' 0 C--N 1.39 2.726 0 C-N-CA 122.843 2.362 . . . . 0.0 114.185 172.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -49.99 26.59 Favored Glycine 0 C--N 1.342 0.913 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.819 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.36 -36.62 82.82 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.868 0.867 . . . . 0.0 111.544 -175.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 5.8 m-85 -63.7 -46.65 84.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.463 0.705 . . . . 0.0 110.355 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -68.15 -23.53 64.89 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.7 -36.35 80.48 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.103 0.561 . . . . 0.0 110.031 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -88.62 -11.87 44.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.023 0.929 . . . . 0.0 111.764 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.24 15.96 45.72 Favored Glycine 0 N--CA 1.481 1.664 0 C-N-CA 122.964 0.316 . . . . 0.0 113.76 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.2 mt -96.28 174.29 6.96 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.791 1.236 . . . . 0.0 111.066 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -80.66 146.76 30.97 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.762 0.825 . . . . 0.0 111.192 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.27 -6.16 41.99 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.527 0.731 . . . . 0.0 112.354 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -75.39 130.93 78.7 Favored Pre-proline 0 N--CA 1.472 0.669 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.18 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.36 -40.62 44.0 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 123.732 2.955 . . . . 0.0 113.488 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.5 83.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.625 0.77 . . . . 0.0 111.713 178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.32 -39.61 32.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.825 0.85 . . . . 0.0 111.091 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG22 HG21 ' A' ' 3' ' ' THR . 67.0 mt -61.64 -50.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.472 1.109 . . . . 0.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -63.83 -32.91 74.59 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.024 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.02 74.08 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.579 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -67.5 -50.04 60.71 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 122.911 0.484 . . . . 0.0 110.715 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -71.25 -28.35 32.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.56 -36.94 57.32 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.391 0.676 . . . . 0.0 110.759 174.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.3 -39.33 92.64 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.607 0.763 . . . . 0.0 110.625 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -154.76 97.83 2.49 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.5 172.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HA3' ' A' ' 77' ' ' GLY . 70.4 Cg_endo -73.62 170.65 19.49 Favored 'Trans proline' 0 C--N 1.363 1.334 0 C-N-CA 122.361 2.041 . . . . 0.0 111.555 168.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.6 mt -101.31 158.26 32.12 Favored Pre-proline 0 N--CA 1.473 0.711 0 C-N-CA 122.974 0.51 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HG2' ' HB ' ' A' ' 37' ' ' VAL . 71.7 Cg_endo -82.21 152.45 16.13 Favored 'Trans proline' 0 C--N 1.364 1.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.428 171.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -57.67 -22.53 52.87 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 123.387 2.725 . . . . 0.0 114.464 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -24.09 26.03 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' HB ' ' HG2' ' A' ' 34' ' ' PRO . 57.4 t -113.16 98.17 45.1 Favored Pre-proline 0 N--CA 1.484 1.237 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.89 177.69 6.09 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 122.891 2.394 . . . . 0.0 113.963 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 53' ' ' LEU . 64.7 tp -53.25 -49.82 85.86 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 115.087 -0.96 . . . . 0.0 113.057 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.3 -33.96 88.56 Favored 'Trans proline' 0 C--N 1.39 2.717 0 C-N-CA 122.434 2.089 . . . . 0.0 113.208 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.57 1.33 55.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.499 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.71 126.12 91.78 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 122.775 0.43 . . . . 0.0 110.099 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.47 -10.55 29.09 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.138 2.558 . . . . 0.0 113.117 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -66.95 -24.02 66.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.315 1.046 . . . . 0.0 111.555 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -94.38 146.32 24.14 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.2 p -66.7 153.43 93.67 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.031 0.832 . . . . 0.0 109.513 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.06 -29.42 65.23 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 122.782 2.321 . . . . 0.0 113.623 -174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.02 -48.92 56.07 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.983 0.513 . . . . 0.0 111.2 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -71.53 -26.81 62.81 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.742 0.817 . . . . 0.0 111.343 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.34 -42.28 75.52 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.295 1.038 . . . . 0.0 109.743 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.81 70.32 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.358 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -66.77 -50.87 61.3 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.353 0.661 . . . . 0.0 110.074 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 39' ' ' LEU . 94.0 mt -67.07 -28.75 68.45 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.682 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 14.1 ttm180 -61.45 -52.34 64.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.037 0.535 . . . . 0.0 110.299 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -67.79 -19.59 65.1 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.171 0.588 . . . . 0.0 111.77 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.22 -32.33 55.78 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.181 0.592 . . . . 0.0 111.399 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.24 -49.61 6.45 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' SG ' ' A' ' 59' ' ' CYS . 7.7 pt-20 -67.51 -24.27 65.55 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.045 0.538 . . . . 0.0 111.738 -176.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 58' ' ' GLU . 59.2 m -125.99 152.96 45.01 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.502 0.721 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 90.88 2.09 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.542 0.737 . . . . 0.0 109.438 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -105.39 172.56 6.73 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.028 0.931 . . . . 0.0 111.4 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.06 -18.79 59.07 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 115.08 -0.963 . . . . 0.0 110.97 172.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -93.17 -7.1 46.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.672 0.789 . . . . 0.0 110.204 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 17.0 t -62.19 -44.05 97.47 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.914 0.886 . . . . 0.0 112.156 -169.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -64.86 -44.14 90.7 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 111.616 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.0 -42.73 89.38 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.274 0.559 . . . . 0.0 111.01 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.78 -31.37 61.73 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.529 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.56 -42.48 61.58 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.079 0.552 . . . . 0.0 109.776 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.99 -29.28 73.83 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.689 -0.687 . . . . 0.0 113.052 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -80.03 -41.43 25.78 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.597 0.359 . . . . 0.0 110.245 173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.07 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.527 0.731 . . . . 0.0 112.052 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.58 -36.14 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 122.817 0.447 . . . . 0.0 111.3 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.31 -35.36 77.71 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.126 0.57 . . . . 0.0 110.93 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -77.13 -51.52 10.86 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.014 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.91 -6.7 50.62 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -170.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -88.71 18.31 4.8 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.553 0.741 . . . . 0.0 111.027 169.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 32' ' ' PRO . . . -81.3 -177.82 51.98 Favored Glycine 0 C--N 1.344 0.984 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.724 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -91.12 11.37 23.43 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.629 0.772 . . . . 0.0 111.578 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.634 0.774 . . . . 0.0 110.075 175.538 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 CA--C 1.554 1.099 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.637 ' HB3' HD21 ' A' ' 73' ' ' LEU . 29.5 m-20 82.5 -50.16 0.19 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.777 1.631 . . . . 0.0 111.362 174.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.45 ' HA ' HD22 ' A' ' 8' ' ' LEU . 21.3 p -66.03 95.65 0.28 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.288 0.635 . . . . 0.0 109.341 169.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 6.6 m -62.18 124.83 21.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.714 1.206 . . . . 0.0 111.145 -173.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -76.05 -12.48 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 124.024 0.93 . . . . 0.0 113.403 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -105.05 -44.94 4.66 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.167 0.587 . . . . 0.0 110.588 172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 4' ' ' SER . 87.3 mt -74.2 -55.85 5.59 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.377 0.671 . . . . 0.0 112.532 -169.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 3' ' ' THR . 9.4 mp -65.39 -48.4 67.32 Favored Pre-proline 0 CA--C 1.563 1.443 0 CA-C-O 117.39 -1.291 . . . . 0.0 113.125 -174.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.17 -39.83 61.04 Favored 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 122.472 2.114 . . . . 0.0 112.676 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.02 -50.06 54.43 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.528 -0.76 . . . . 0.0 113.304 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 tp -69.39 -36.73 77.08 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.118 0.567 . . . . 0.0 111.531 -174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -64.52 -39.43 93.75 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.895 0.878 . . . . 0.0 110.308 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 86.8 mtm180 -63.03 -31.6 72.78 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.592 0.357 . . . . 0.0 111.436 174.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -73.78 -27.17 61.01 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.214 0.605 . . . . 0.0 111.04 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.8 -0.53 57.24 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.743 0.817 . . . . 0.0 111.441 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.17 -1.94 88.46 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 123.112 0.387 . . . . 0.0 113.973 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.21 171.56 14.14 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.778 1.231 . . . . 0.0 111.302 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -77.77 144.76 36.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.561 0.744 . . . . 0.0 110.637 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 7.4 p-10 -88.67 1.2 55.51 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.699 0.8 . . . . 0.0 111.601 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.86 120.93 83.22 Favored Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 108.196 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 30.6 Cg_endo -58.18 -30.21 89.88 Favored 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 123.357 2.705 . . . . 0.0 112.649 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.91 89.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.425 0.69 . . . . 0.0 111.268 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.31 -34.15 28.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.706 0.802 . . . . 0.0 111.393 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 21' ' ' PRO . 46.5 mt -62.23 -49.34 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.617 1.167 . . . . 0.0 110.722 -177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -62.71 -32.91 74.1 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.97 176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.51 72.39 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.362 0.665 . . . . 0.0 111.583 -177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.08 -45.17 67.58 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 122.985 0.514 . . . . 0.0 111.211 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.68 -28.5 24.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.902 -178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.02 -33.19 51.24 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.0 0.92 . . . . 0.0 110.783 175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.2 t -64.6 -38.57 91.48 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.404 0.682 . . . . 0.0 110.686 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -147.45 81.68 8.54 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.983 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.76 162.38 34.93 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.31 2.007 . . . . 0.0 110.981 169.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 42' ' ' ALA . 83.5 mt -107.29 156.31 37.88 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 123.701 0.8 . . . . 0.0 109.666 173.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.3 157.7 19.78 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 122.372 2.048 . . . . 0.0 110.134 169.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.98 4.15 2.01 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.674 2.249 . . . . 0.0 113.716 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.39 -26.89 14.32 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.851 0.861 . . . . 0.0 109.646 177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.2 t -117.31 99.21 52.57 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.951 0.901 . . . . 0.0 108.905 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.39 -179.69 5.02 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.607 2.204 . . . . 0.0 114.024 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' HD13 ' A' ' 53' ' ' LEU . 43.0 tp -55.01 -54.17 53.13 Favored Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.474 1.11 . . . . 0.0 113.703 -171.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.36 -15.54 31.29 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.954 1.769 . . . . 0.0 112.786 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -93.78 -4.33 50.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.054 0.942 . . . . 0.0 111.53 -175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.35 120.08 79.17 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 123.337 0.655 . . . . 0.0 110.014 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -73.81 7.9 2.2 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.874 2.383 . . . . 0.0 113.64 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -71.94 -42.66 66.36 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.132 0.573 . . . . 0.0 110.232 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -72.15 134.9 45.98 Favored 'General case' 0 C--O 1.24 0.561 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.11 -175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -58.63 141.34 84.45 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.76 0.824 . . . . 0.0 109.625 177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.25 -37.62 80.77 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.588 2.859 . . . . 0.0 114.383 -162.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.32 -40.88 77.35 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.947 0.499 . . . . 0.0 111.1 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -74.32 -30.99 62.29 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.051 0.94 . . . . 0.0 111.777 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.98 77.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.988 0.515 . . . . 0.0 110.047 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.66 -31.27 70.27 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.304 176.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -67.39 -43.32 81.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.852 0.861 . . . . 0.0 110.249 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -62.11 -38.19 87.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.068 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -68.38 -25.61 65.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.02 0.528 . . . . 0.0 111.379 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -65.59 -37.31 86.27 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 121.042 0.449 . . . . 0.0 109.947 171.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.45 -25.11 31.49 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.094 0.958 . . . . 0.0 112.603 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' LEU . 2.3 mm? -91.91 -41.94 10.31 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.895 0.478 . . . . 0.0 111.726 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -88.13 -23.36 23.68 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.067 0.547 . . . . 0.0 110.805 -174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.1 m -135.86 167.15 21.72 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.731 0.813 . . . . 0.0 109.807 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.59 91.13 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.13 0.572 . . . . 0.0 110.281 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.03 -178.56 6.58 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.986 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.35 -16.47 60.39 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.811 0.444 . . . . 0.0 110.843 171.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -102.45 11.49 37.89 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.511 0.724 . . . . 0.0 111.305 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.2 p -60.34 -45.88 91.89 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.438 0.695 . . . . 0.0 111.546 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -66.24 -36.72 83.75 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.519 0.728 . . . . 0.0 111.566 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.2 -48.53 61.79 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.83 0.852 . . . . 0.0 111.399 -178.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -26.98 47.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.908 -174.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.65 -49.17 56.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.638 0.775 . . . . 0.0 109.981 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.77 -28.66 73.83 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 114.831 -1.077 . . . . 0.0 112.907 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.8 tp -77.3 -36.11 54.41 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 117.102 0.451 . . . . 0.0 110.607 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' ' 39' ' ' LEU . . . -58.95 -42.02 88.83 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.309 0.644 . . . . 0.0 111.342 -178.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.2 m -75.28 -26.81 18.96 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.839 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 2' ' ' ASP . 80.9 mt -74.33 -25.66 59.69 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.81 0.444 . . . . 0.0 111.63 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.09 -53.52 6.62 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -64.84 -25.31 67.85 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.395 0.678 . . . . 0.0 111.871 -176.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -125.14 70.51 1.16 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 173.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.37 77.79 0.24 Allowed Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.393 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -87.9 138.65 31.27 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.05 0.94 . . . . 0.0 110.233 -176.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 C-N-CA 123.795 0.838 . . . . 0.0 109.167 178.424 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -107.68 128.88 54.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.121 0.569 . . . . 0.0 111.462 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -87.18 -28.45 22.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.742 0.817 . . . . 0.0 110.598 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.8 p -82.0 69.64 8.75 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 122.158 0.98 . . . . 0.0 108.988 175.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.56 ' HB3' HD13 ' A' ' 8' ' ' LEU . 50.8 t-20 -140.93 136.67 32.47 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.474 -173.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -75.83 -6.59 51.47 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.665 0.786 . . . . 0.0 112.26 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.12 -30.38 58.2 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.252 0.621 . . . . 0.0 111.158 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 5' ' ' ASN . 10.4 mp -65.52 -53.18 39.55 Favored Pre-proline 0 CA--C 1.567 1.597 0 CA-C-O 117.64 -1.171 . . . . 0.0 111.127 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -41.33 -48.46 5.23 Favored 'Trans proline' 0 C--N 1.395 3.013 0 C-N-CA 123.608 2.872 . . . . 0.0 114.796 174.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.69 -44.92 94.22 Favored Glycine 0 C--N 1.344 1.014 0 O-C-N 123.742 0.651 . . . . 0.0 112.84 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.1 -46.49 83.99 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.347 0.659 . . . . 0.0 110.675 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.9 -34.1 77.58 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.371 1.068 . . . . 0.0 111.322 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 98.1 mtt180 -58.75 -41.5 86.66 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 122.771 0.428 . . . . 0.0 110.87 173.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -74.57 -28.79 61.08 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.762 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 89.9 mt -83.94 -8.14 59.25 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.443 0.697 . . . . 0.0 111.498 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.75 -0.93 77.6 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.415 0.447 . . . . 0.0 113.743 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' HE2' ' A' ' 44' ' ' PHE . 48.6 mt -86.21 178.2 7.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.786 0.834 . . . . 0.0 111.145 178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.56 144.83 37.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.63 0.772 . . . . 0.0 110.713 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.8 p-10 -95.86 -1.19 49.96 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.925 0.89 . . . . 0.0 111.883 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -77.06 124.3 87.32 Favored Pre-proline 0 N--CA 1.48 1.038 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.88 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -50.85 -34.53 45.54 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 124.153 3.235 . . . . 0.0 114.102 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.09 98.46 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.305 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.94 56.46 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.488 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.2 mt -60.11 -52.5 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.709 1.204 . . . . 0.0 111.207 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -62.73 -33.52 75.3 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.043 0.839 . . . . 0.0 109.419 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.28 69.53 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.604 0.762 . . . . 0.0 111.572 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.32 -49.27 61.51 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 122.66 0.384 . . . . 0.0 110.575 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.2 pt -75.07 -27.87 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.605 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.0 -47.15 47.68 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.332 0.653 . . . . 0.0 110.442 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.3 m -75.15 -25.0 58.03 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.758 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -133.99 76.24 64.89 Favored Pre-proline 0 CA--C 1.544 0.718 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -83.72 -173.7 1.69 Allowed 'Trans proline' 0 C--N 1.377 2.075 0 C-N-CA 122.652 2.234 . . . . 0.0 111.594 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 42' ' ' ALA . 95.3 mt -139.39 156.74 71.56 Favored Pre-proline 0 N--CA 1.483 1.206 0 C-N-CA 124.085 0.954 . . . . 0.0 109.992 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.69 161.44 45.19 Favored 'Trans proline' 0 C--N 1.371 1.717 0 C-N-CA 122.384 2.056 . . . . 0.0 110.826 165.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.2 46.07 1.08 Allowed 'Trans proline' 0 N--CA 1.501 1.936 0 C-N-CA 123.224 2.616 . . . . 0.0 112.053 169.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.5 mtp180 -148.49 -48.38 0.15 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.196 1.399 . . . . 0.0 108.132 -166.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.5 105.97 21.17 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 169.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -76.47 176.66 9.79 Favored 'Trans proline' 0 C--N 1.368 1.579 0 C-N-CA 122.221 1.947 . . . . 0.0 112.183 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.715 ' HG ' HD13 ' A' ' 53' ' ' LEU . 55.3 tp -53.83 -53.3 59.31 Favored Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.365 -173.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -68.98 -26.74 30.96 Favored 'Trans proline' 0 C--N 1.398 3.14 0 C-N-CA 121.65 1.566 . . . . 0.0 113.026 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -83.71 -0.14 49.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.427 0.691 . . . . 0.0 112.005 -175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.73 127.61 89.5 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 122.589 0.356 . . . . 0.0 110.192 174.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.41 -3.29 13.14 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.632 2.221 . . . . 0.0 112.7 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' HE2' HD11 ' A' ' 17' ' ' LEU . 87.3 t80 -59.65 -29.81 68.29 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.125 0.97 . . . . 0.0 110.514 170.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -94.69 155.41 16.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.559 0.743 . . . . 0.0 110.099 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.4 p -76.45 164.4 59.98 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 123.796 0.839 . . . . 0.0 109.367 169.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -58.93 -27.62 85.19 Favored 'Trans proline' 0 C--N 1.373 1.863 0 C-N-CA 121.917 1.745 . . . . 0.0 112.96 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.02 -52.83 12.92 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.402 0.681 . . . . 0.0 111.196 177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.98 -26.3 65.85 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.359 0.664 . . . . 0.0 111.505 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.93 75.4 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.8 0.84 . . . . 0.0 110.057 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -34.28 77.09 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.011 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -62.74 -38.18 89.51 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.902 0.881 . . . . 0.0 111.018 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.715 HD13 ' HG ' ' A' ' 39' ' ' LEU . 83.7 mt -76.8 -43.32 37.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.29 0.636 . . . . 0.0 111.219 175.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -58.16 -46.69 85.26 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.487 1.115 . . . . 0.0 110.701 -171.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -58.79 -33.37 70.25 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.021 0.928 . . . . 0.0 112.17 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.71 -25.03 44.64 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.751 0.82 . . . . 0.0 111.376 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.57 -32.18 42.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.85 0.46 . . . . 0.0 110.198 170.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.97 -57.26 13.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.464 0.705 . . . . 0.0 111.71 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 40.0 t -143.5 174.15 11.02 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.265 -172.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.21 121.83 16.08 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 123.911 0.884 . . . . 0.0 110.59 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -144.58 -179.67 6.71 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 125.07 1.348 . . . . 0.0 108.879 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -58.28 -36.32 73.1 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.24 0.543 . . . . 0.0 110.959 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -104.12 27.44 7.69 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.079 0.952 . . . . 0.0 111.203 -173.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.483 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 23.3 t -66.99 -51.18 58.27 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -72.83 -31.95 65.15 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.844 0.458 . . . . 0.0 110.684 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.61 -48.85 65.59 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.145 0.578 . . . . 0.0 110.555 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.34 -37.81 43.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.305 0.642 . . . . 0.0 111.727 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.43 -49.04 58.75 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.862 0.465 . . . . 0.0 109.787 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.82 -22.35 71.91 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 115.0 -1.0 . . . . 0.0 113.569 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD23 HD21 ' A' ' 39' ' ' LEU . 39.5 tp -83.45 -43.5 15.77 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.46 -42.48 70.68 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.469 0.708 . . . . 0.0 111.586 -176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.86 -26.7 33.28 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.057 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.148 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.6 -39.86 67.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.453 0.701 . . . . 0.0 111.264 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.25 -51.28 61.84 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.548 176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.9 -21.26 60.13 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.159 -173.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -116.43 55.78 0.8 Allowed 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 169.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.54 -37.38 93.61 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.656 166.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -161.39 -175.84 5.03 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.752 1.221 . . . . 0.0 109.074 173.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.388 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 120.797 0.332 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.33 156.21 37.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.388 1.075 . . . . 0.0 112.896 -173.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 p -75.48 134.04 40.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 165.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.46 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.6 m -67.96 84.62 0.22 Allowed 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -53.68 -40.78 66.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.755 1.222 . . . . 0.0 113.935 -163.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -98.66 -22.48 15.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.046 0.538 . . . . 0.0 111.303 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 5.7 mp -89.89 -36.15 15.21 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.983 0.513 . . . . 0.0 111.882 -170.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 82.3 mt -59.5 -41.36 86.32 Favored Pre-proline 0 CA--C 1.56 1.364 0 CA-C-O 118.08 -0.962 . . . . 0.0 112.605 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -46.57 -58.36 1.74 Allowed 'Trans proline' 0 C--N 1.391 2.773 0 C-N-CA 122.285 1.99 . . . . 0.0 113.332 167.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -34.58 90.29 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.335 0.397 . . . . 0.0 113.564 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD12 ' HE2' ' A' ' 52' ' ' PHE . 43.0 tp -65.36 -47.33 76.78 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.776 0.831 . . . . 0.0 109.87 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.71 -27.72 64.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.013 0.925 . . . . 0.0 111.137 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 93.0 mtt180 -63.99 -41.99 97.33 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.496 0.318 . . . . 0.0 110.557 172.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -69.58 -29.36 66.89 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.708 0.63 . . . . 0.0 111.365 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 HD11 HD21 ' A' ' 53' ' ' LEU . 91.2 mt -81.26 -29.18 34.46 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.315 0.646 . . . . 0.0 111.138 176.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.77 19.58 26.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.239 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.19 -179.92 4.69 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.019 0.928 . . . . 0.0 109.659 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.8 134.36 41.79 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.725 0.41 . . . . 0.0 110.372 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.57 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.2 p-10 -90.32 -0.56 57.69 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.371 1.069 . . . . 0.0 111.841 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -71.63 118.72 68.96 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -51.4 -32.3 41.86 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.536 2.824 . . . . 0.0 113.701 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.84 81.54 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.551 0.74 . . . . 0.0 111.463 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -36.0 33.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.199 0.599 . . . . 0.0 111.222 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.15 -49.17 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 124.227 1.011 . . . . 0.0 110.393 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -32.15 73.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.292 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.85 -33.15 63.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.112 0.565 . . . . 0.0 111.774 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -67.27 -50.8 59.02 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.187 0.518 . . . . 0.0 110.608 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -71.52 -28.3 31.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.583 -176.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -77.58 -32.25 53.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.178 0.591 . . . . 0.0 110.85 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -70.44 -30.99 67.98 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.723 0.409 . . . . 0.0 110.58 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -146.97 91.97 5.07 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.365 0.666 . . . . 0.0 110.041 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.76 -170.61 0.71 Allowed 'Trans proline' 0 C--N 1.374 1.868 0 C-N-CA 122.844 2.363 . . . . 0.0 112.21 168.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 48.8 mt -133.45 160.29 69.19 Favored Pre-proline 0 N--CA 1.485 1.284 0 C-N-CA 124.27 1.028 . . . . 0.0 110.318 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.81 154.52 26.49 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.408 2.072 . . . . 0.0 110.741 170.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -65.24 -14.18 43.72 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.65 2.233 . . . . 0.0 113.949 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -36.13 16.4 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.978 0.511 . . . . 0.0 111.086 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.6 t -89.34 110.42 38.6 Favored Pre-proline 0 CA--C 1.544 0.72 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.61 -170.49 0.96 Allowed 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.42 2.08 . . . . 0.0 112.122 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.459 ' HG ' HD13 ' A' ' 53' ' ' LEU . 42.2 tp -61.15 -54.68 51.33 Favored Pre-proline 0 CA--C 1.572 1.812 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -76.16 -13.08 19.2 Favored 'Trans proline' 0 C--N 1.394 2.955 0 C-N-CA 121.964 1.776 . . . . 0.0 113.662 -174.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -91.22 -1.59 57.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.658 0.783 . . . . 0.0 111.983 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' HD1' ' A' ' 45' ' ' TRP . . . -76.92 122.34 86.26 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 122.667 0.387 . . . . 0.0 110.556 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -65.85 -6.17 13.59 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.894 2.396 . . . . 0.0 112.935 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -62.55 -48.52 79.12 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 123.744 0.818 . . . . 0.0 109.841 169.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.473 ' HD1' ' HB3' ' A' ' 42' ' ' ALA . 72.0 m95 -80.15 121.37 25.48 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.7 p -68.28 151.14 97.42 Favored Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 124.43 1.092 . . . . 0.0 110.323 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -46.89 -41.99 25.22 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 124.128 3.218 . . . . 0.0 115.514 -161.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.73 -39.18 67.1 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 122.921 0.489 . . . . 0.0 111.679 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -65.84 -42.8 90.05 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.563 1.145 . . . . 0.0 110.623 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.42 -31.77 67.62 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.223 1.009 . . . . 0.0 111.137 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.43 -41.11 89.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.459 0.703 . . . . 0.0 110.376 176.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HE2' HD12 ' A' ' 11' ' ' LEU . 90.3 t80 -60.51 -49.71 76.45 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.108 0.963 . . . . 0.0 110.77 177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 82.3 mt -63.08 -33.94 76.51 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.881 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -63.73 -38.06 89.69 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 24.7 mm-40 -64.75 -24.94 67.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.577 0.351 . . . . 0.0 111.373 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . . . -82.79 -43.31 16.86 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.976 0.91 . . . . 0.0 112.389 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.87 -50.74 8.85 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 120.603 0.24 . . . . 0.0 111.575 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -66.12 -33.87 76.75 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.016 0.926 . . . . 0.0 112.007 -172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 73.2 m -135.22 160.69 37.58 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.173 0.589 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.89 117.29 9.57 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.728 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' H ' ' HB2' ' A' ' 64' ' ' SER . . . -138.75 170.26 16.31 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.913 0.885 . . . . 0.0 110.193 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -63.4 -30.94 71.99 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.496 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -97.77 14.21 27.76 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.64 0.776 . . . . 0.0 111.802 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.449 ' HB2' ' H ' ' A' ' 61' ' ' ALA . 34.8 t -60.5 -43.98 96.47 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.501 0.321 . . . . 0.0 110.509 -177.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.09 -35.54 69.25 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.606 0.763 . . . . 0.0 110.874 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.99 -51.96 61.84 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.561 0.744 . . . . 0.0 111.795 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.72 -25.76 49.55 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.39 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.92 -43.47 75.11 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.316 0.646 . . . . 0.0 109.26 170.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.63 -26.7 72.95 Favored Glycine 0 C--N 1.342 0.91 0 CA-C-N 114.416 -1.265 . . . . 0.0 113.007 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 tp -83.89 -37.31 22.57 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.351 0.66 . . . . 0.0 110.902 176.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.04 90.03 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.446 0.698 . . . . 0.0 111.407 -175.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 7.6 p -60.58 -41.58 88.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 O-C-N 123.817 0.698 . . . . 0.0 111.602 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.25 -39.45 82.88 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.436 1.094 . . . . 0.0 111.043 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.3 mt -77.86 -40.97 38.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.606 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -69.98 -17.26 63.29 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.003 0.521 . . . . 0.0 112.331 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 12.6 pt20 -116.9 -173.45 2.39 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.458 0.703 . . . . 0.0 109.686 173.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.68 93.54 0.14 Allowed Glycine 0 C--N 1.342 0.872 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.97 81.88 0.17 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.615 1.166 . . . . 0.0 110.868 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 C-N-CA 123.499 0.72 . . . . 0.0 109.1 -177.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mmt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 120.451 0.167 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.09 142.47 33.28 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.1 0.56 . . . . 0.0 110.281 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.2 p -76.66 86.99 3.32 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.651 0.78 . . . . 0.0 109.981 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 t -57.05 110.63 0.86 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.334 1.054 . . . . 0.0 111.168 -177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -69.34 -10.28 57.18 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.652 0.381 . . . . 0.0 111.667 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -85.33 -63.94 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.196 0.598 . . . . 0.0 110.256 175.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.76 -45.91 17.98 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.183 0.593 . . . . 0.0 112.538 -169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.652 HD11 HD13 ' A' ' 70' ' ' LEU . 27.6 tp -65.44 -48.36 66.85 Favored Pre-proline 0 CA--C 1.576 1.96 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.932 -167.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 84.7 Cg_exo -54.48 -45.12 43.35 Favored 'Trans proline' 0 C--N 1.403 3.426 0 C-N-CA 122.755 2.303 . . . . 0.0 112.786 170.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' HA2' ' HD3' ' A' ' 13' ' ' ARG . . . -62.39 -35.9 92.35 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.849 -0.614 . . . . 0.0 113.15 -177.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 HE21 ' A' ' 14' ' ' GLN . 53.7 tp -67.94 -41.59 82.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.454 0.702 . . . . 0.0 109.989 176.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CZ ' HG23 ' A' ' 24' ' ' ILE . 7.1 m-85 -68.58 -33.37 73.94 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.992 0.517 . . . . 0.0 111.87 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 67.8 mtp180 -58.58 -50.6 73.22 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 123.387 0.675 . . . . 0.0 111.592 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.601 HE21 HD12 ' A' ' 11' ' ' LEU . 12.0 pt20 -74.07 -19.51 60.58 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.432 0.693 . . . . 0.0 112.144 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 11' ' ' LEU . 9.9 mp -84.78 1.44 46.71 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.294 0.637 . . . . 0.0 111.133 172.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.34 0.94 85.13 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 122.973 0.32 . . . . 0.0 113.479 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD11 HE22 ' A' ' 49' ' ' GLN . 51.9 mt -88.63 -179.47 6.04 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.856 1.262 . . . . 0.0 110.894 -176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -78.97 132.37 36.66 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.492 0.717 . . . . 0.0 111.001 -176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.9 -0.61 55.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.137 0.975 . . . . 0.0 110.739 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.8 114.73 41.83 Favored Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -54.28 -39.46 86.68 Favored 'Trans proline' 0 C--N 1.381 2.254 0 C-N-CA 123.656 2.904 . . . . 0.0 114.189 -170.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.29 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.43 0.292 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -35.63 64.08 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.199 0.6 . . . . 0.0 111.173 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 86.5 mt -65.34 -54.13 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.018 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -63.72 -31.48 72.66 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.789 0.681 . . . . 0.0 110.723 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.73 -47.28 78.82 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.995 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.67 -51.74 52.67 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.081 0.552 . . . . 0.0 111.684 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 73' ' ' LEU . 18.6 pt -69.34 -29.97 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 C-N-CA 123.297 0.639 . . . . 0.0 111.668 -172.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -77.96 -39.47 42.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.887 0.475 . . . . 0.0 110.472 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.7 t -62.5 -42.63 99.63 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.943 0.497 . . . . 0.0 110.293 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -119.65 82.24 26.04 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.362 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -84.61 166.11 12.0 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.953 2.435 . . . . 0.0 112.486 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 42' ' ' ALA . 65.7 mt -103.39 144.99 29.77 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 123.265 0.626 . . . . 0.0 110.657 177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -68.5 160.06 50.84 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 122.918 2.412 . . . . 0.0 110.473 163.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.05 4.47 3.22 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 122.573 2.182 . . . . 0.0 113.413 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -105.74 -23.14 12.79 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.589 0.756 . . . . 0.0 111.069 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.42 114.56 64.14 Favored Pre-proline 0 N--CA 1.479 1.0 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 94.6 Cg_endo -78.72 176.11 10.24 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.279 1.986 . . . . 0.0 112.716 174.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD21 HD23 ' A' ' 70' ' ' LEU . 21.1 tp -62.09 -46.45 91.45 Favored Pre-proline 0 CA--C 1.574 1.901 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -175.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 72.9 Cg_endo -71.4 -11.89 28.99 Favored 'Trans proline' 0 C--N 1.395 3.024 0 C-N-CA 122.293 1.995 . . . . 0.0 114.039 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -103.6 3.5 34.61 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.038 0.535 . . . . 0.0 111.441 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -71.79 120.08 77.97 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.545 0.528 . . . . 0.0 110.076 177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -72.72 -5.42 17.14 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.798 2.332 . . . . 0.0 112.319 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -74.03 -20.17 60.39 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.289 1.036 . . . . 0.0 111.322 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 19.7 m95 -94.64 156.44 16.42 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.2 p -70.86 155.55 93.22 Favored Pre-proline 0 N--CA 1.474 0.766 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 171.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -60.91 -20.15 65.56 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.062 1.841 . . . . 0.0 112.899 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.38 -49.52 41.33 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.572 0.749 . . . . 0.0 110.664 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.432 HE22 HD11 ' A' ' 17' ' ' LEU . 28.8 mt-30 -62.87 -46.75 86.42 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.776 0.831 . . . . 0.0 110.962 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.17 93.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.49 1.116 . . . . 0.0 111.212 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.02 -34.49 76.58 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.38 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -67.09 -48.34 68.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.175 0.59 . . . . 0.0 110.339 176.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.3 mt -61.99 -28.46 69.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -57.32 -40.67 78.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.178 0.591 . . . . 0.0 111.246 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -74.23 -37.9 63.68 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.808 0.443 . . . . 0.0 111.483 175.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.75 68.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.884 0.474 . . . . 0.0 111.091 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.37 -23.96 18.26 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.282 0.633 . . . . 0.0 111.556 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.22 -57.24 10.04 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.104 0.562 . . . . 0.0 110.961 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.52 157.98 40.52 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.919 0.888 . . . . 0.0 109.462 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -72.26 89.06 1.17 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.495 0.718 . . . . 0.0 109.802 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.91 -172.34 2.97 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.264 1.025 . . . . 0.0 111.689 -176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.39 -21.0 66.49 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.012 0.925 . . . . 0.0 111.968 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -120.37 24.13 10.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.653 0.781 . . . . 0.0 110.9 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -67.29 -46.6 73.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.653 0.381 . . . . 0.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.52 -35.33 70.68 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.709 0.804 . . . . 0.0 110.805 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.02 91.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.867 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.92 64.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.704 0.801 . . . . 0.0 111.364 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -67.15 -47.45 70.98 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.019 0.527 . . . . 0.0 109.983 174.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.88 -27.34 71.07 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.127 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 HD11 ' A' ' 8' ' ' LEU . 35.3 tp -79.31 -43.82 22.85 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 122.848 0.459 . . . . 0.0 109.904 173.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.46 78.92 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.539 0.736 . . . . 0.0 111.922 -176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.6 m -71.53 -31.65 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.231 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 ' HB3' HD12 ' A' ' 28' ' ' ILE . 92.1 mt -69.71 -30.69 68.38 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.591 0.356 . . . . 0.0 111.617 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.55 -52.01 11.6 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.185 0.594 . . . . 0.0 111.202 176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -80.11 -38.68 31.1 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -169.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.81 112.36 20.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.972 0.509 . . . . 0.0 109.71 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.11 -153.56 24.4 Favored Glycine 0 C--N 1.342 0.914 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -75.8 134.6 40.36 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.612 0.765 . . . . 0.0 110.785 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 176.048 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.34 151.02 39.85 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.378 0.671 . . . . 0.0 111.114 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -95.38 105.01 16.93 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.424 0.69 . . . . 0.0 110.351 173.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -65.91 104.63 1.14 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.66 0.784 . . . . 0.0 109.99 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -77.1 5.13 8.75 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.568 0.747 . . . . 0.0 112.293 -173.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -103.87 -38.47 7.01 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.495 0.718 . . . . 0.0 109.823 173.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.78 -57.08 3.19 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.47 0.708 . . . . 0.0 111.528 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.75 -49.48 49.24 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.169 -1.396 . . . . 0.0 113.224 -170.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 67.2 Cg_exo -46.9 -45.1 21.45 Favored 'Trans proline' 0 C--N 1.397 3.119 0 C-N-CA 122.693 2.262 . . . . 0.0 113.344 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -64.54 -45.78 92.1 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.031 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 53' ' ' LEU . 4.2 tt -66.62 -46.26 76.42 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.177 0.591 . . . . 0.0 110.245 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -58.18 -35.54 71.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.997 0.919 . . . . 0.0 110.835 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 64.6 mtp85 -66.28 -32.7 74.26 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 122.629 0.372 . . . . 0.0 111.561 175.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 57.1 mm-40 -69.92 -30.1 67.43 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 176.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -86.98 -15.73 37.91 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.23 0.612 . . . . 0.0 111.107 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.26 -6.34 65.98 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-O 119.941 -0.366 . . . . 0.0 113.158 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.0 mt -73.26 179.27 3.99 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.559 1.144 . . . . 0.0 111.588 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.42 135.53 37.43 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.301 -176.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.421 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 6.3 p-10 -92.17 1.12 57.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.311 1.044 . . . . 0.0 111.577 177.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -73.51 114.04 28.12 Favored Pre-proline 0 CA--C 1.54 0.566 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.95 -28.56 69.23 Favored 'Trans proline' 0 C--N 1.383 2.343 0 C-N-CA 123.449 2.766 . . . . 0.0 113.437 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.11 -31.12 65.74 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.288 0.635 . . . . 0.0 111.24 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.0 -35.05 29.32 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.123 0.569 . . . . 0.0 110.75 174.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.497 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 65.6 mt -64.05 -44.98 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 124.568 1.147 . . . . 0.0 110.588 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -62.7 -28.87 70.24 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.329 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.87 -37.19 56.0 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.7 0.8 . . . . 0.0 111.62 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 24' ' ' ILE . 37.1 m-85 -59.31 -58.29 9.29 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 123.116 0.566 . . . . 0.0 110.711 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.456 ' HA ' HD23 ' A' ' 74' ' ' LEU . 35.2 pt -64.75 -30.93 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.995 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.9 -46.95 79.57 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.717 0.807 . . . . 0.0 110.932 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.5 t -96.46 -8.13 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.412 -170.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -124.12 97.32 40.73 Favored Pre-proline 0 N--CA 1.48 1.049 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 44.2 Cg_endo -87.14 164.65 8.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.536 2.157 . . . . 0.0 113.163 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 42' ' ' ALA . 21.6 mt -127.41 149.62 70.42 Favored Pre-proline 0 N--CA 1.473 0.72 0 C-N-CA 124.186 0.994 . . . . 0.0 109.728 170.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 20.1 Cg_exo -67.08 153.88 76.27 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.761 2.307 . . . . 0.0 110.659 169.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -61.99 -21.45 72.39 Favored 'Trans proline' 0 C--N 1.368 1.582 0 C-N-CA 122.934 2.423 . . . . 0.0 114.041 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -93.79 -21.08 19.52 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 119.245 -0.407 . . . . 0.0 111.775 -179.155 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.518 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 91.1 t -88.51 111.76 45.83 Favored Pre-proline 0 N--CA 1.48 1.027 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 63.0 Cg_endo -73.39 175.43 10.62 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.347 2.031 . . . . 0.0 112.682 175.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' HD13 ' A' ' 53' ' ' LEU . 66.4 tp -52.96 -55.38 34.03 Favored Pre-proline 0 CA--C 1.565 1.533 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.787 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 42.7 Cg_endo -63.18 -31.12 75.06 Favored 'Trans proline' 0 C--N 1.397 3.089 0 C-N-CA 122.146 1.898 . . . . 0.0 113.082 -175.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' HG2' ' A' ' 38' ' ' PRO . 25.8 mm-40 -87.28 4.29 43.34 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.948 -173.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -67.88 131.73 92.44 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 169.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.29 14.71 1.1 Allowed 'Trans proline' 0 C--N 1.377 2.034 0 C-N-CA 122.925 2.417 . . . . 0.0 112.84 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HD1' ' HB1' ' A' ' 42' ' ' ALA . 81.3 m-85 -87.53 -17.31 32.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.87 1.268 . . . . 0.0 110.948 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -104.32 139.18 39.68 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.768 0.427 . . . . 0.0 112.038 -171.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 65.9 p -64.51 148.88 96.07 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 124.13 0.972 . . . . 0.0 109.963 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -58.01 -34.7 98.71 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 123.031 2.487 . . . . 0.0 114.586 -165.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.97 -48.45 44.94 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.416 0.287 . . . . 0.0 110.615 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.476 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 15.4 mp0 -65.71 -29.05 69.53 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.126 0.97 . . . . 0.0 111.23 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.88 63.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.254 1.021 . . . . 0.0 109.589 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -66.26 -28.32 68.63 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.489 0.716 . . . . 0.0 111.264 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -65.88 -46.89 76.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.243 1.017 . . . . 0.0 110.082 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD13 ' HG ' ' A' ' 39' ' ' LEU . 74.0 mt -67.21 -33.16 74.78 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.471 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -63.07 -44.67 95.16 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 124.034 0.934 . . . . 0.0 110.212 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 18.2 mm100 -60.39 -31.56 70.48 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.356 0.662 . . . . 0.0 111.771 177.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.79 -26.46 57.34 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 123.757 0.823 . . . . 0.0 111.416 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.35 -32.86 14.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 122.091 -0.381 . . . . 0.0 111.739 176.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.61 -31.1 59.77 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.578 0.751 . . . . 0.0 110.807 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.2 t -146.75 164.57 32.33 Favored 'General case' 0 C--O 1.241 0.631 0 C-N-CA 123.151 0.581 . . . . 0.0 110.41 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.11 88.73 0.8 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 122.083 0.944 . . . . 0.0 111.048 177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.12 178.98 5.71 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.59 172.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.68 -32.15 71.77 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.603 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -97.8 20.33 12.23 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.41 0.684 . . . . 0.0 111.321 178.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -65.74 -49.47 68.29 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.573 0.624 . . . . 0.0 111.07 -174.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.12 -34.96 71.55 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.855 0.862 . . . . 0.0 110.7 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.2 82.88 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.348 0.659 . . . . 0.0 110.902 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.88 32.95 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.36 1.064 . . . . 0.0 110.938 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -63.29 -38.73 92.29 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 109.594 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.15 -48.37 75.82 Favored Glycine 0 C--O 1.216 -0.989 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.616 175.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -39.82 93.01 Favored 'General case' 0 CA--C 1.558 1.272 0 C-N-CA 123.83 0.852 . . . . 0.0 110.009 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . . . -63.91 -51.32 65.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.861 0.865 . . . . 0.0 111.663 -175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 76' ' ' GLN . 9.0 p -66.98 -34.19 68.29 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.7 mt -66.15 -27.12 67.79 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.613 0.765 . . . . 0.0 112.374 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 28' ' ' ILE . 74.3 mt -76.76 -38.05 54.8 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 172.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -68.91 -32.24 71.74 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.288 0.635 . . . . 0.0 112.255 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 72' ' ' VAL . 3.9 pt20 -124.1 25.42 7.87 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 123.126 0.57 . . . . 0.0 111.334 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.07 -27.67 70.86 Favored Glycine 0 C--N 1.351 1.365 0 CA-C-N 116.161 -0.472 . . . . 0.0 113.572 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -112.06 110.5 20.83 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.757 0.823 . . . . 0.0 110.28 176.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.173 0 C-N-CA 124.962 1.305 . . . . 0.0 111.05 177.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HB3' HD23 ' A' ' 73' ' ' LEU . 4.4 mpp? . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.91 142.75 32.72 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.667 0.787 . . . . 0.0 109.426 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 73' ' ' LEU . 72.9 p -86.07 148.63 25.63 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.558 0.743 . . . . 0.0 111.359 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HG ' ' A' ' 8' ' ' LEU . 14.9 m -76.31 79.96 3.07 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 166.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.54 -30.62 54.48 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.991 1.316 . . . . 0.0 114.176 -163.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -102.71 -21.89 14.03 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.841 0.456 . . . . 0.0 112.145 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 6.2 mp -91.24 -41.3 11.05 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.213 0.605 . . . . 0.0 111.393 -174.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 4' ' ' SER . 98.9 mt -61.97 -40.99 73.73 Favored Pre-proline 0 CA--C 1.556 1.203 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.462 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 30.1 Cg_exo -42.51 -52.05 4.66 Favored 'Trans proline' 0 C--N 1.391 2.789 0 C-N-CA 122.959 2.439 . . . . 0.0 114.184 171.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.21 -43.42 89.33 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.979 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.55 -36.05 82.97 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.18 0.592 . . . . 0.0 111.239 -177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -76.28 -42.58 44.99 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.789 0.836 . . . . 0.0 111.084 -176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' HB3' ' A' ' 19' ' ' ASP . 27.3 mtp180 -56.88 -35.65 69.17 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 120.853 0.359 . . . . 0.0 110.691 174.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -71.76 -42.9 66.64 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.185 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mp -78.86 -12.43 60.03 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.495 0.718 . . . . 0.0 111.638 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.52 -3.97 26.37 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 123.024 0.345 . . . . 0.0 113.43 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -90.06 -177.8 5.27 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.866 0.867 . . . . 0.0 110.287 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -95.09 154.32 17.23 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.388 0.675 . . . . 0.0 110.683 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.514 ' HB3' ' HG3' ' A' ' 13' ' ' ARG . 5.7 p-10 -91.73 -0.98 57.59 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.871 0.868 . . . . 0.0 112.754 -175.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 54.1 mt-10 -72.97 127.13 89.97 Favored Pre-proline 0 N--CA 1.47 0.527 0 CA-C-O 118.375 -0.821 . . . . 0.0 109.316 -175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 5.3 Cg_endo -45.28 -41.4 17.15 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 123.884 3.056 . . . . 0.0 113.695 177.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.59 63.23 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.548 0.739 . . . . 0.0 111.713 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.22 -41.32 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.618 0.367 . . . . 0.0 110.704 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.82 -47.93 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.46 1.104 . . . . 0.0 111.002 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -28.81 70.32 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.579 0.55 . . . . 0.0 110.903 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.3 -37.04 61.02 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.003 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.66 -38.65 62.4 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.065 0.546 . . . . 0.0 111.699 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 33.2 pt -69.72 -33.11 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-O 120.866 0.365 . . . . 0.0 111.175 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.04 -33.97 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.874 0.87 . . . . 0.0 110.446 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.9 t -74.22 -24.57 59.34 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.61 0.764 . . . . 0.0 111.716 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' HD22 ' A' ' 74' ' ' LEU . 36.0 m80 -133.38 64.88 70.89 Favored Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 122.859 0.464 . . . . 0.0 111.327 -175.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HG2' ' HB2' ' A' ' 79' ' ' ALA . 14.2 Cg_exo -71.3 159.79 50.76 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.621 2.214 . . . . 0.0 111.828 176.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.5 mt -124.57 153.63 69.74 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 123.989 0.916 . . . . 0.0 110.359 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 37' ' ' VAL . 26.5 Cg_exo -65.44 152.99 80.24 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.743 2.296 . . . . 0.0 111.272 171.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.93 -30.17 91.11 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.763 2.309 . . . . 0.0 112.823 177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -89.75 -11.61 41.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.538 ' HB ' ' HD2' ' A' ' 34' ' ' PRO . 90.0 t -111.56 101.11 50.17 Favored Pre-proline 0 N--CA 1.483 1.181 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.96 178.43 5.91 Favored 'Trans proline' 0 C--N 1.377 2.074 0 C-N-CA 122.707 2.271 . . . . 0.0 113.533 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.6 tp -52.49 -55.85 28.16 Favored Pre-proline 0 CA--C 1.562 1.432 0 CA-C-N 114.749 -1.114 . . . . 0.0 113.896 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HB2' ' HB3' ' A' ' 54' ' ' ARG . 68.5 Cg_endo -76.92 -12.8 17.77 Favored 'Trans proline' 0 C--N 1.391 2.806 0 C-N-CA 121.799 1.666 . . . . 0.0 113.296 -174.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -96.34 -0.3 49.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.727 0.811 . . . . 0.0 111.362 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.32 123.01 89.04 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 122.88 0.472 . . . . 0.0 109.786 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.96 -3.73 13.39 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.768 2.312 . . . . 0.0 112.808 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -63.28 -41.72 99.03 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.262 1.025 . . . . 0.0 111.113 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -80.75 157.59 25.77 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 121.056 0.455 . . . . 0.0 111.3 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.5 p -75.07 156.62 85.91 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.678 177.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -61.02 -29.47 87.87 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.251 1.967 . . . . 0.0 112.566 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.51 -51.32 24.27 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.282 0.633 . . . . 0.0 111.414 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.7 mp0 -68.86 -41.02 79.0 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.086 0.554 . . . . 0.0 111.203 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.67 88.41 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.273 0.629 . . . . 0.0 110.994 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . . . -64.7 -33.97 77.21 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.297 175.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.86 -48.41 58.95 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.652 0.781 . . . . 0.0 110.695 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 49' ' ' GLN . 80.1 mt -65.05 -37.22 86.87 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.544 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HB3' ' HB2' ' A' ' 40' ' ' PRO . 13.9 ptm180 -68.58 -24.74 64.63 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' ALA . 59.4 mm-40 -70.33 -30.28 67.2 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.77 -26.34 29.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.08 0.952 . . . . 0.0 112.129 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.79 -52.7 6.17 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 120.767 0.318 . . . . 0.0 111.298 177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.75 -15.38 57.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.315 0.646 . . . . 0.0 111.985 -172.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 54.0 t -145.39 159.45 43.05 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.414 0.686 . . . . 0.0 109.584 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.39 89.14 4.39 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.011 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.93 -176.92 5.93 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.168 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -71.38 -12.27 61.33 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.112 0.565 . . . . 0.0 110.962 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -121.81 26.68 8.54 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.361 1.065 . . . . 0.0 110.475 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.0 p -61.62 -51.05 70.1 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.562 0.345 . . . . 0.0 111.811 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -72.44 -30.71 64.84 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.406 0.682 . . . . 0.0 110.39 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 7' ' ' LEU . . . -63.75 -49.82 71.48 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.344 0.658 . . . . 0.0 111.235 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.56 38.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.936 0.895 . . . . 0.0 111.289 -175.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.31 -34.39 76.05 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.071 0.548 . . . . 0.0 109.872 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.28 -44.58 74.41 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.117 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 26.4 tp -64.06 -37.46 87.53 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.087 0.555 . . . . 0.0 110.428 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.41 67.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.558 0.743 . . . . 0.0 111.234 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.9 p -67.21 -30.82 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.403 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 1' ' ' MET . 82.1 mt -65.23 -40.79 94.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.021 0.529 . . . . 0.0 111.468 177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 31' ' ' HIS . 83.3 mt -75.95 -50.68 14.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.876 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.8 -26.46 66.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.772 0.829 . . . . 0.0 112.38 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -104.25 6.87 35.77 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.349 0.66 . . . . 0.0 110.776 175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.82 115.57 6.67 Favored Glycine 0 C--N 1.344 0.983 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.0 123.99 22.15 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.018 0.927 . . . . 0.0 111.168 -174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . . . . . . . . 0 C--O 1.252 1.224 0 C-N-CA 123.649 0.78 . . . . 0.0 109.868 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -146.01 113.28 6.22 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.791 0.836 . . . . 0.0 109.463 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.4 p -77.61 77.03 4.13 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -56.49 118.32 4.69 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.139 0.976 . . . . 0.0 111.374 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -77.1 0.68 20.6 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.001 0.92 . . . . 0.0 111.457 177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -102.75 -60.48 1.54 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.814 0.846 . . . . 0.0 109.46 172.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.49 -55.86 10.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 112.093 -171.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.12 -50.96 82.04 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.707 -173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 19' ' ' ASP . 68.3 Cg_exo -47.86 -49.49 13.62 Favored 'Trans proline' 0 C--N 1.39 2.736 0 C-N-CA 122.75 2.3 . . . . 0.0 114.067 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.01 -43.9 80.07 Favored Glycine 0 C--N 1.344 0.977 0 O-C-N 123.63 0.581 . . . . 0.0 112.663 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.9 tp -60.22 -41.16 92.47 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.847 0.859 . . . . 0.0 110.976 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.39 -39.9 77.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.779 0.832 . . . . 0.0 110.226 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -58.47 -37.59 75.81 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 122.602 0.361 . . . . 0.0 110.813 174.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -79.2 -23.75 43.62 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.218 0.607 . . . . 0.0 111.677 178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -85.03 -17.68 36.74 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.317 0.647 . . . . 0.0 110.206 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.61 -3.99 34.56 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 123.698 0.666 . . . . 0.0 112.697 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mp -90.22 -176.03 4.71 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 125.645 1.578 . . . . 0.0 111.861 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -93.3 158.03 15.95 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.492 1.117 . . . . 0.0 110.85 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 9' ' ' PRO . 4.5 p-10 -111.43 2.32 17.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.266 0.626 . . . . 0.0 112.656 -170.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 mp0 -76.13 131.15 76.13 Favored Pre-proline 0 N--CA 1.48 1.068 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.269 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -49.02 -37.39 37.42 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 123.701 2.934 . . . . 0.0 113.935 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.96 75.33 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.555 0.742 . . . . 0.0 111.151 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.13 76.14 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.365 0.666 . . . . 0.0 110.583 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.42 -52.27 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.358 1.463 . . . . 0.0 110.835 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ppt_? -67.61 -29.79 69.22 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.511 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.01 68.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.104 0.561 . . . . 0.0 111.346 178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -69.26 -45.77 68.88 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.717 0.407 . . . . 0.0 111.19 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 pt -77.77 -27.9 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.455 -175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.69 -46.29 15.79 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.259 0.623 . . . . 0.0 111.22 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.3 t -74.98 -26.59 59.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.089 0.556 . . . . 0.0 111.142 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -126.28 77.35 72.3 Favored Pre-proline 0 N--CA 1.474 0.733 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -84.48 -177.42 2.93 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.373 2.049 . . . . 0.0 111.286 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 42' ' ' ALA . 71.5 mt -136.23 154.25 77.11 Favored Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.006 0.923 . . . . 0.0 109.478 175.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.0 162.65 26.15 Favored 'Trans proline' 0 C--N 1.366 1.492 0 C-N-CA 122.185 1.924 . . . . 0.0 109.703 166.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 42.5 Cg_endo -65.17 -5.3 10.77 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.374 2.049 . . . . 0.0 112.936 173.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -85.97 -33.18 21.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.122 1.369 . . . . 0.0 111.537 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.9 t -108.85 113.39 59.58 Favored Pre-proline 0 N--CA 1.484 1.244 0 C-N-CA 122.937 0.495 . . . . 0.0 109.853 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.38 172.91 15.36 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.463 2.108 . . . . 0.0 113.191 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' HG ' HD13 ' A' ' 53' ' ' LEU . 32.7 tp -58.88 -47.39 98.77 Favored Pre-proline 0 CA--C 1.576 1.967 0 C-N-CA 124.6 1.16 . . . . 0.0 113.16 -176.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.62 -13.81 40.06 Favored 'Trans proline' 0 C--N 1.403 3.434 0 C-N-CA 122.606 2.204 . . . . 0.0 113.965 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.12 4.73 29.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.218 0.607 . . . . 0.0 111.605 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -73.45 121.37 84.98 Favored Pre-proline 0 CA--C 1.548 0.876 0 O-C-N 123.461 0.476 . . . . 0.0 109.978 177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.05 -2.04 10.96 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.951 2.434 . . . . 0.0 112.458 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -72.85 -25.42 61.1 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.752 1.221 . . . . 0.0 111.249 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 39' ' ' LEU . 16.2 m95 -102.94 160.84 14.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.489 0.716 . . . . 0.0 109.804 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.4 p -77.78 139.89 62.68 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 123.574 0.749 . . . . 0.0 109.107 175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -56.78 -29.57 81.38 Favored 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.046 2.497 . . . . 0.0 114.029 -174.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.4 63.6 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.967 0.507 . . . . 0.0 110.392 176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 10.3 mp0 -69.16 -28.64 66.61 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.451 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.12 -33.68 65.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.812 0.845 . . . . 0.0 110.571 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.76 -31.03 63.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.459 0.704 . . . . 0.0 110.441 173.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -72.63 -28.19 62.6 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.717 0.807 . . . . 0.0 110.821 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.51 HD13 ' HG ' ' A' ' 39' ' ' LEU . 95.5 mt -76.0 -34.49 59.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.861 0.465 . . . . 0.0 109.749 169.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -66.93 -35.88 80.99 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.412 0.685 . . . . 0.0 111.944 -174.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -63.31 -30.35 71.5 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.682 0.393 . . . . 0.0 111.071 175.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.2 -30.68 54.83 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.962 0.905 . . . . 0.0 111.224 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.67 -23.98 27.23 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.324 0.65 . . . . 0.0 111.032 174.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -73.9 -56.68 4.67 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.934 0.893 . . . . 0.0 110.113 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 27.9 p -144.81 -173.42 4.06 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.683 -173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -74.91 88.78 2.34 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.337 0.655 . . . . 0.0 110.628 177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.37 -172.87 2.76 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.405 171.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -35.1 78.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 122.365 0.266 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -105.0 29.18 6.53 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.689 0.796 . . . . 0.0 111.212 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -57.47 -40.51 78.68 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.202 0.601 . . . . 0.0 111.684 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -81.31 -40.09 24.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.57 0.748 . . . . 0.0 111.347 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.32 9.31 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 0.0 112.378 -171.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.59 68.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.77 0.828 . . . . 0.0 111.607 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.47 -48.5 48.85 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.324 0.65 . . . . 0.0 110.02 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.95 -21.09 73.22 Favored Glycine 0 C--N 1.347 1.165 0 CA-C-N 114.762 -1.108 . . . . 0.0 112.738 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -83.01 -40.17 20.31 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.233 0.613 . . . . 0.0 110.224 174.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.67 75.68 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.778 0.831 . . . . 0.0 111.852 -174.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 p -68.05 -36.48 75.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 C-N-CA 123.246 0.619 . . . . 0.0 111.136 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.52 -31.74 72.06 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.369 0.668 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.76 -53.08 12.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.269 174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 50.0 mt-30 -71.56 -18.09 62.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.341 0.656 . . . . 0.0 112.499 -170.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -108.67 58.15 0.61 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.9 116.11 7.05 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.598 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -127.46 138.8 53.05 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.189 0.996 . . . . 0.0 109.248 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.315 0.646 . . . . 0.0 109.811 -176.895 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 119.773 -0.155 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' HB2' HD21 ' A' ' 73' ' ' LEU . 2.5 p-10 -58.31 -51.4 69.95 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.8 0.84 . . . . 0.0 112.958 -174.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -80.19 -4.52 53.4 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 t -125.25 22.7 7.78 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.804 0.842 . . . . 0.0 109.747 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -84.43 143.04 29.67 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.912 0.885 . . . . 0.0 108.792 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -58.18 -21.43 47.36 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.41 1.084 . . . . 0.0 112.781 -174.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.498 ' HB3' ' HA ' ' A' ' 66' ' ' ALA . 95.5 mt -55.57 -43.84 76.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.462 1.105 . . . . 0.0 111.72 174.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.29 -52.16 9.29 Favored Pre-proline 0 CA--C 1.568 1.648 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.564 -175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -44.42 -38.73 11.96 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 123.108 2.539 . . . . 0.0 114.491 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -72.41 -52.39 10.62 Favored Glycine 0 C--N 1.34 0.767 0 CA-C-N 116.088 -0.506 . . . . 0.0 113.131 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.93 -43.26 99.2 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.995 0.918 . . . . 0.0 110.523 -173.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 9.5 m-85 -65.84 -35.2 79.99 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.746 0.819 . . . . 0.0 111.699 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -70.55 -25.04 62.91 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 117.859 0.3 . . . . 0.0 111.542 176.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 7.0 mm100 -72.28 -26.28 61.91 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' PHE . 50.8 mt -80.32 -22.78 41.16 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.129 0.972 . . . . 0.0 110.743 174.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.23 3.82 60.03 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.215 -173.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -84.54 173.42 10.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.614 1.166 . . . . 0.0 110.643 176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -78.05 153.94 31.85 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.534 0.734 . . . . 0.0 111.622 -176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.11 8.02 38.73 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.096 0.958 . . . . 0.0 111.985 -178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.53 121.85 80.22 Favored Pre-proline 0 N--CA 1.476 0.874 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.175 176.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -47.4 -40.27 28.68 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 124.818 3.678 . . . . 0.0 114.104 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.27 91.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.092 0.557 . . . . 0.0 110.776 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.97 -40.97 83.07 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.593 0.757 . . . . 0.0 110.795 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.71 -51.74 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.232 1.413 . . . . 0.0 110.886 -177.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -68.32 -28.53 67.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.768 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.46 -35.3 75.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.412 0.685 . . . . 0.0 111.096 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -65.69 -49.64 67.82 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.5 0.5 . . . . 0.0 110.193 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 pt -74.46 -27.04 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 122.729 0.412 . . . . 0.0 111.918 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -69.3 -46.94 65.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.454 0.701 . . . . 0.0 110.325 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -85.85 -14.26 45.52 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.241 -176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -136.55 73.04 56.27 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -89.79 175.25 3.13 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.753 2.302 . . . . 0.0 112.476 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD11 ' HB2' ' A' ' 42' ' ' ALA . 66.0 mt -125.2 150.18 66.22 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 123.423 0.689 . . . . 0.0 110.973 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -72.54 157.45 52.68 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.781 2.321 . . . . 0.0 109.943 165.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -65.05 -8.7 19.07 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.492 2.128 . . . . 0.0 113.383 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -36.29 31.66 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.104 0.562 . . . . 0.0 110.582 175.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.4 t -97.14 113.24 62.79 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.021 0.528 . . . . 0.0 110.547 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -81.52 178.69 6.4 Favored 'Trans proline' 0 C--N 1.373 1.817 0 C-N-CA 122.94 2.427 . . . . 0.0 112.735 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' A' ' 53' ' ' LEU . 60.8 tp -59.77 -47.29 97.77 Favored Pre-proline 0 CA--C 1.567 1.611 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -175.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -71.5 -14.53 30.73 Favored 'Trans proline' 0 C--N 1.395 3.02 0 C-N-CA 121.907 1.738 . . . . 0.0 112.613 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -102.83 1.89 34.69 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 123.765 0.826 . . . . 0.0 111.155 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -68.84 125.54 91.97 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 122.971 0.509 . . . . 0.0 110.121 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.9 8.32 3.19 Favored 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 122.807 2.338 . . . . 0.0 113.06 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -71.85 -30.56 65.58 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.588 0.755 . . . . 0.0 110.729 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.463 ' NE1' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m95 -97.78 155.03 17.22 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.002 0.921 . . . . 0.0 109.103 -174.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -67.84 158.46 83.28 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 123.28 0.632 . . . . 0.0 109.876 172.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -59.04 -25.15 76.73 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.33 2.02 . . . . 0.0 112.317 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.85 -50.7 32.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.96 0.904 . . . . 0.0 110.978 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -68.23 -44.64 75.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.031 0.532 . . . . 0.0 111.068 -175.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.36 -29.27 67.56 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.134 0.974 . . . . 0.0 111.504 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.95 -44.5 72.87 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.969 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.35 -36.98 83.9 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.607 0.763 . . . . 0.0 110.882 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD23 ' HG ' ' A' ' 39' ' ' LEU . 7.5 mp -69.44 -38.15 77.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.334 0.654 . . . . 0.0 110.726 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -63.22 -28.97 70.41 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -65.08 -37.38 87.32 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.019 0.528 . . . . 0.0 111.013 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.64 -40.57 55.99 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.686 0.794 . . . . 0.0 112.42 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.57 -47.68 16.72 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.654 0.382 . . . . 0.0 111.585 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.01 -47.67 27.95 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.089 0.556 . . . . 0.0 110.726 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.0 t -110.28 163.02 14.05 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.582 0.753 . . . . 0.0 110.244 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -63.77 135.06 56.35 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.03 166.0 34.56 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.381 0.672 . . . . 0.0 110.289 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.66 -13.67 62.17 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.158 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -111.61 17.49 19.92 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.072 0.949 . . . . 0.0 111.444 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p -63.55 -50.28 70.13 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.823 0.449 . . . . 0.0 111.107 -178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -75.22 -31.04 60.74 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.161 0.584 . . . . 0.0 111.43 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' ' 7' ' ' LEU . . . -69.55 -42.68 74.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.226 0.61 . . . . 0.0 111.44 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.49 -34.63 58.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.133 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.62 -45.49 78.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.132 0.573 . . . . 0.0 110.237 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.38 -47.88 87.1 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.063 -0.972 . . . . 0.0 112.31 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.9 -43.8 94.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.234 0.614 . . . . 0.0 111.656 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.47 78.44 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.35 0.66 . . . . 0.0 111.356 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.72 -46.57 91.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.458 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 2' ' ' ASP . 94.6 mt -64.34 -32.48 74.1 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.398 0.679 . . . . 0.0 112.458 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.04 -44.56 84.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.466 0.706 . . . . 0.0 110.264 174.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -79.71 -13.17 59.66 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.825 0.85 . . . . 0.0 111.717 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -98.6 3.39 47.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.089 0.956 . . . . 0.0 110.285 170.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.91 63.51 3.49 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.02 102.71 2.5 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.691 0.796 . . . . 0.0 111.077 -172.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.0 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.734 174.635 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 CA--C 1.557 1.234 0 CA-C-O 120.927 0.394 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.52 109.11 3.57 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.906 -0.496 . . . . 0.0 110.509 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 p -72.2 101.58 2.85 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.431 0.692 . . . . 0.0 110.295 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 22.6 m -58.15 105.98 0.33 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.42 0.688 . . . . 0.0 111.079 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -55.36 -45.91 76.48 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -166.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -105.57 -30.49 9.48 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 123.363 0.665 . . . . 0.0 111.745 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.573 ' HB2' ' HB3' ' A' ' 4' ' ' SER . 1.9 mm? -74.34 -44.15 53.6 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.573 0.749 . . . . 0.0 110.83 -170.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 tp -68.17 -48.75 36.64 Favored Pre-proline 0 CA--C 1.571 1.787 0 C-N-CA 124.066 0.947 . . . . 0.0 111.441 -175.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 8' ' ' LEU . 86.2 Cg_exo -51.96 -47.81 24.73 Favored 'Trans proline' 0 C--N 1.405 3.535 0 C-N-CA 122.74 2.293 . . . . 0.0 112.473 168.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.24 -35.88 89.26 Favored Glycine 0 C--N 1.346 1.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 113.313 178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' HB1' ' A' ' 66' ' ' ALA . 41.6 tp -69.87 -39.88 76.08 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.262 0.625 . . . . 0.0 109.879 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -66.1 -33.76 76.51 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.183 0.593 . . . . 0.0 111.082 177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 65.4 mtt-85 -61.33 -41.07 96.41 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-O 121.447 0.641 . . . . 0.0 110.144 173.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -69.44 -40.5 77.17 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 114.545 -1.207 . . . . 0.0 111.276 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.52 -1.99 56.63 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.549 0.74 . . . . 0.0 111.863 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 9.4 85.72 Favored Glycine 0 C--N 1.356 1.673 0 O-C-N 123.221 0.326 . . . . 0.0 113.568 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.6 mt -89.46 -177.36 5.31 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.467 1.107 . . . . 0.0 110.628 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -83.77 121.79 27.78 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.084 0.554 . . . . 0.0 110.52 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -80.96 -8.38 59.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.138 0.975 . . . . 0.0 113.083 -174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.58 128.76 79.0 Favored Pre-proline 0 CA--C 1.552 1.043 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -55.88 -28.89 70.22 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 124.005 3.136 . . . . 0.0 113.246 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.78 84.3 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.027 0.931 . . . . 0.0 111.473 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.92 -28.77 32.63 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 9' ' ' PRO . 73.9 mt -63.4 -52.31 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.229 0.612 . . . . 0.0 110.108 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -62.61 -30.31 71.25 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.819 0.699 . . . . 0.0 110.22 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.46 -36.36 57.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.536 0.734 . . . . 0.0 111.171 177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -68.47 -48.61 64.06 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.772 0.829 . . . . 0.0 110.798 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 pt -70.88 -29.67 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.842 0.857 . . . . 0.0 110.723 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.35 -46.04 71.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.741 0.816 . . . . 0.0 109.888 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.3 t -67.11 -40.48 86.89 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.979 0.912 . . . . 0.0 111.173 -176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -132.29 87.95 41.49 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.722 0.809 . . . . 0.0 109.101 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -78.66 -161.36 0.14 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.53 2.153 . . . . 0.0 111.176 169.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 mt -137.8 158.76 70.98 Favored Pre-proline 0 N--CA 1.475 0.808 0 C-N-CA 124.871 1.268 . . . . 0.0 108.465 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.474 ' HB2' ' HD3' ' A' ' 36' ' ' ARG . 86.6 Cg_endo -78.67 151.68 25.25 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 121.986 1.791 . . . . 0.0 110.034 170.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.508 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . 37.1 Cg_endo -63.24 -15.35 47.63 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.875 2.384 . . . . 0.0 114.142 -171.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' HB2' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -90.64 -25.53 20.07 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 178.333 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.6 t -98.98 106.12 35.96 Favored Pre-proline 0 N--CA 1.483 1.225 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HB2' ' HD2' ' A' ' 40' ' ' PRO . 73.7 Cg_endo -72.9 174.84 11.25 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.51 2.14 . . . . 0.0 113.11 176.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.629 ' HG ' HD13 ' A' ' 53' ' ' LEU . 45.9 tp -57.0 -48.8 96.85 Favored Pre-proline 0 CA--C 1.569 1.685 0 CA-C-N 114.889 -1.051 . . . . 0.0 113.273 -176.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 38' ' ' PRO . 73.0 Cg_endo -71.12 -11.44 28.99 Favored 'Trans proline' 0 C--N 1.395 3.023 0 C-N-CA 122.106 1.871 . . . . 0.0 113.573 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -103.79 -0.13 29.65 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.302 0.641 . . . . 0.0 111.497 178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . . . -68.57 114.97 25.57 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.214 176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -62.59 -11.47 23.59 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 123.01 2.473 . . . . 0.0 113.517 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -56.19 -42.78 77.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.791 1.236 . . . . 0.0 111.475 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 57.1 m95 -78.83 154.46 29.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.929 0.492 . . . . 0.0 110.991 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.2 p -73.67 159.99 83.18 Favored Pre-proline 0 CA--C 1.549 0.916 0 C-N-CA 124.101 0.961 . . . . 0.0 109.288 172.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.62 -26.44 82.91 Favored 'Trans proline' 0 C--N 1.379 2.154 0 C-N-CA 122.235 1.956 . . . . 0.0 113.076 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.83 -53.62 30.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.176 0.591 . . . . 0.0 110.441 173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -66.0 -29.33 69.69 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.354 0.662 . . . . 0.0 111.677 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.06 -44.42 72.64 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.759 0.824 . . . . 0.0 110.347 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.97 69.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.047 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -66.17 -43.71 86.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.245 1.018 . . . . 0.0 110.894 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 39' ' ' LEU . 77.6 mt -75.63 -30.84 59.63 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.962 177.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.74 -53.83 52.68 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 122.929 0.491 . . . . 0.0 110.959 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -63.03 -21.54 66.23 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.518 0.727 . . . . 0.0 112.217 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -34.91 57.71 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.289 0.636 . . . . 0.0 111.038 177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -90.68 -18.63 24.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 122.295 -0.253 . . . . 0.0 111.49 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -85.4 -37.19 20.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.647 0.779 . . . . 0.0 110.403 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 75.2 m -137.87 162.06 34.99 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.562 0.745 . . . . 0.0 110.06 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.43 87.56 1.18 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 122.305 1.05 . . . . 0.0 109.948 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -97.97 174.76 6.41 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.4 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.9 -29.43 70.77 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.304 0.642 . . . . 0.0 110.769 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -107.97 23.02 15.11 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.953 0.901 . . . . 0.0 111.254 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 46.4 p -64.7 -51.78 60.64 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.82 0.448 . . . . 0.0 111.442 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -78.14 -23.7 47.68 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.981 0.913 . . . . 0.0 111.067 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.577 ' HB1' ' HB2' ' A' ' 11' ' ' LEU . . . -69.52 -52.37 27.05 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.644 0.777 . . . . 0.0 110.537 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.17 -31.09 67.24 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.975 -178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.72 -48.66 78.26 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.691 169.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.32 -32.41 82.72 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 114.896 -1.047 . . . . 0.0 113.656 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 39' ' ' LEU . 21.9 tp -79.44 -41.4 27.67 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.528 0.331 . . . . 0.0 110.571 176.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.43 98.88 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.128 0.571 . . . . 0.0 111.615 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.3 m -68.26 -23.44 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 123.558 0.743 . . . . 0.0 112.101 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.83 -49.82 13.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.185 0.594 . . . . 0.0 110.885 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.7 mt -67.37 -49.12 65.28 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 124.257 0.973 . . . . 0.0 111.393 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 53.4 mt-30 -70.95 -10.92 60.57 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -85.36 122.88 30.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.794 0.438 . . . . 0.0 110.115 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -79.98 69.94 3.0 Favored Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.999 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.99 128.21 35.69 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.605 0.762 . . . . 0.0 109.532 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 C-N-CA 123.277 0.631 . . . . 0.0 109.929 -176.648 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.721 0.296 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -139.21 173.1 11.9 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 HG22 HD22 ' A' ' 73' ' ' LEU . 22.9 p -55.76 -60.94 2.74 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 171.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -69.5 86.93 0.45 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.685 0.794 . . . . 0.0 110.631 -177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -80.37 150.31 29.9 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 114.408 -1.269 . . . . 0.0 107.933 173.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -62.97 -19.51 64.38 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.428 0.691 . . . . 0.0 112.323 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.92 -25.58 48.48 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.47 1.108 . . . . 0.0 111.945 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.8 -48.05 42.19 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 116.962 -1.494 . . . . 0.0 113.562 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 97.7 Cg_exo -48.49 -47.78 19.31 Favored 'Trans proline' 0 C--N 1.4 3.275 0 C-N-CA 122.236 1.957 . . . . 0.0 112.379 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -63.98 -38.16 95.64 Favored Glycine 0 C--N 1.351 1.403 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.316 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 70' ' ' LEU . 1.9 tm? -70.06 -47.92 59.98 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.384 0.674 . . . . 0.0 109.676 -178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -60.93 -33.96 73.97 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.93 0.892 . . . . 0.0 110.829 177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 68.2 mtp180 -61.5 -38.86 88.88 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 122.671 0.388 . . . . 0.0 111.227 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLY . 9.9 mm100 -70.24 -28.42 65.23 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.718 0.407 . . . . 0.0 111.385 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -85.4 -12.33 52.31 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.884 175.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.54 12.6 82.78 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.253 -0.431 . . . . 0.0 113.128 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.9 mt -86.9 -179.51 6.53 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.821 1.248 . . . . 0.0 110.573 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' HB2' ' HE2' ' A' ' 27' ' ' PHE . 7.3 mm-40 -71.43 123.79 23.17 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.432 0.693 . . . . 0.0 110.728 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -87.12 6.93 30.29 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.813 1.245 . . . . 0.0 111.469 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 23' ' ' ALA . 11.8 tp10 -78.07 114.63 43.83 Favored Pre-proline 0 N--CA 1.465 0.279 0 C-N-CA 124.594 1.158 . . . . 0.0 108.349 178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 20' ' ' GLU . 18.8 Cg_endo -53.98 -31.69 64.89 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.509 2.806 . . . . 0.0 114.112 179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.82 76.51 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.452 0.701 . . . . 0.0 111.252 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' H ' ' HG3' ' A' ' 20' ' ' GLU . . . -76.8 -35.89 57.33 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.301 0.641 . . . . 0.0 110.362 177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.5 mt -60.51 -50.9 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.076 1.35 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -65.98 -27.22 67.98 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.175 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.97 61.23 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.517 0.727 . . . . 0.0 111.556 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.487 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 21.5 m-85 -71.14 -47.15 59.56 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.239 0.616 . . . . 0.0 111.127 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 73' ' ' LEU . 37.3 pt -63.68 -30.4 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.576 0.35 . . . . 0.0 110.607 178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -72.52 -39.34 67.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.276 1.03 . . . . 0.0 111.353 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 65.8 p -86.78 -12.08 49.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.176 0.59 . . . . 0.0 111.837 -177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -131.73 66.2 77.48 Favored Pre-proline 0 CA--C 1.559 1.297 0 C-N-CA 123.68 0.792 . . . . 0.0 109.797 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.43 140.68 27.46 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.146 1.897 . . . . 0.0 111.154 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 42' ' ' ALA . 73.2 mt -104.33 155.39 37.33 Favored Pre-proline 0 N--CA 1.473 0.691 0 C-N-CA 123.911 0.885 . . . . 0.0 110.17 172.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -84.28 161.88 13.17 Favored 'Trans proline' 0 CA--C 1.552 1.417 0 C-N-CA 122.427 2.085 . . . . 0.0 110.402 167.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -53.03 -21.91 17.36 Favored 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 123.334 2.69 . . . . 0.0 113.471 173.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 3.6 mpt_? -68.52 -38.55 80.97 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.141 0.976 . . . . 0.0 110.73 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -108.48 110.65 61.58 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 110.111 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -78.98 -177.47 3.94 Favored 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 122.735 2.29 . . . . 0.0 112.591 174.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.23 -57.42 18.38 Favored Pre-proline 0 CA--C 1.564 1.487 0 CA-C-O 118.133 -0.936 . . . . 0.0 113.003 -176.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -64.61 -28.19 61.01 Favored 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 121.972 1.781 . . . . 0.0 112.812 -173.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.35 1.17 49.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.093 0.957 . . . . 0.0 111.509 -174.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -72.29 123.79 89.96 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 122.981 0.512 . . . . 0.0 109.892 172.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.12 -1.42 9.53 Favored 'Trans proline' 0 C--N 1.376 2.022 0 C-N-CA 122.996 2.464 . . . . 0.0 113.25 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' HD2' ' HB1' ' A' ' 42' ' ' ALA . 78.7 m-85 -72.38 -16.87 61.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.828 1.251 . . . . 0.0 111.679 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -97.77 158.08 15.71 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.43 0.692 . . . . 0.0 109.879 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.8 p -75.64 158.27 83.26 Favored Pre-proline 0 N--CA 1.478 0.932 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 171.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -57.42 -25.79 67.87 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.454 2.103 . . . . 0.0 113.284 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.13 54.63 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.261 0.624 . . . . 0.0 110.685 173.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.77 -34.76 78.93 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.725 0.81 . . . . 0.0 111.35 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.12 88.0 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.891 0.876 . . . . 0.0 110.774 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.46 -39.05 47.98 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.261 0.625 . . . . 0.0 110.991 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -57.94 -46.82 84.46 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.104 0.961 . . . . 0.0 110.838 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.04 -26.61 56.75 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.101 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -61.64 -50.85 70.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.931 0.492 . . . . 0.0 110.455 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.37 -21.09 65.63 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.202 0.601 . . . . 0.0 111.699 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.48 45.53 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.789 0.436 . . . . 0.0 111.494 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.5 -46.6 7.89 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 122.14 -0.35 . . . . 0.0 111.427 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -66.94 -42.54 85.1 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.316 0.647 . . . . 0.0 111.891 -175.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.1 p -129.7 168.28 16.73 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.381 0.673 . . . . 0.0 110.206 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -76.58 90.18 3.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.168 0.587 . . . . 0.0 109.754 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' H ' ' HB3' ' A' ' 64' ' ' SER . . . -85.1 179.79 7.18 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.598 171.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.74 -16.52 64.17 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.717 0.807 . . . . 0.0 111.275 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -122.95 13.28 9.8 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 111.138 -174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HB3' ' H ' ' A' ' 61' ' ' ALA . 42.0 p -57.94 -40.12 79.72 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.474 0.71 . . . . 0.0 112.474 -173.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -71.98 -40.56 68.49 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.533 0.733 . . . . 0.0 111.307 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.4 80.3 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.958 0.903 . . . . 0.0 111.086 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.47 -33.64 42.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.793 -176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.23 -46.27 91.12 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.366 0.666 . . . . 0.0 110.177 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.22 -46.03 92.07 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 124.097 0.873 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.78 -40.33 96.4 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.69 0.796 . . . . 0.0 110.108 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.25 92.12 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.754 0.821 . . . . 0.0 111.411 -179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.72 -47.04 94.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.713 176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 28' ' ' ILE . 96.1 mt -68.23 -24.13 64.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.116 0.966 . . . . 0.0 113.405 -173.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -77.05 -49.21 15.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -73.88 -8.35 55.75 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.43 0.692 . . . . 0.0 112.563 -177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -111.23 128.31 55.89 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.588 1.155 . . . . 0.0 108.919 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.61 148.11 13.8 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 123.359 0.412 . . . . 0.0 112.795 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.52 133.7 51.08 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 172.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 C-N-CA 123.598 0.759 . . . . 0.0 108.998 -177.943 . . . . . . . . 0 0 . 1 stop_ save_